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"source": "PubChem SMILES-to-CAS synonym resolution; tier is inherited only when the resolved CAS is already present in perfumer_tier_lookup inputs.",
"aliases": {
"SMILES:CCc1cc2c(cc1C(C)=O)C(C)(C)CCC2(C)C": {
"source_cas": "88-29-9",
"pubchem_cid": 6930,
"pubchem_name": "Versalide"
},
"SMILES:CC(=O)OCC(COC(C)=O)OC(C)=O": {
"source_cas": "102-76-1",
"pubchem_cid": 5541,
"pubchem_name": "triacetin"
},
"SMILES:COC(=O)CCC(=O)OC": {
"source_cas": "106-65-0",
"pubchem_cid": 7820,
"pubchem_name": "DIMETHYL SUCCINATE"
},
"SMILES:CC(=O)OC(C)(C)C1CCC(C)CC1": {
"source_cas": "58985-18-5",
"pubchem_cid": 6631,
"pubchem_name": "Dihydroterpinyl acetate"
},
"SMILES:CC1=CCC2CC1C2(C)C": {
"source_cas": "80-56-8",
"pubchem_cid": 6654,
"pubchem_name": "ALPHA-PINENE"
},
"SMILES:COc1ccc(C)cc1": {
"source_cas": "104-93-8",
"pubchem_cid": 7731,
"pubchem_name": "4-Methylanisole"
},
"SMILES:C=CCc1ccc(OC(C)=O)c(OC)c1": {
"source_cas": "93-28-7",
"pubchem_cid": 7136,
"pubchem_name": "Eugenol acetate"
},
"SMILES:CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC": {
"source_cas": "77-90-7",
"pubchem_cid": 6505,
"pubchem_name": "ACETYL TRIBUTYL CITRATE"
},
"SMILES:CCCCCC#CC(=O)OC": {
"source_cas": "111-12-6",
"pubchem_cid": 8092,
"pubchem_name": "Methyl 2-octynoate"
},
"SMILES:CC=Cc1ccc(OC)c(OC)c1": {
"source_cas": "93-16-3",
"pubchem_cid": 7128,
"pubchem_name": "Methyl isoeugenol"
},
"SMILES:CC(C)C(=O)O": {
"source_cas": "79-31-2",
"pubchem_cid": 6590,
"pubchem_name": "ISOBUTYRIC ACID"
},
"SMILES:Cc1cncc(C)n1": {
"source_cas": "108-50-9",
"pubchem_cid": 7938,
"pubchem_name": "2,6-DIMETHYLPYRAZINE"
},
"SMILES:C=CC(C)(CCC=C(C)C)OC(=O)C(C)C": {
"source_cas": "78-35-3",
"pubchem_cid": 6532,
"pubchem_name": "Linalyl isobutyrate"
},
"SMILES:CC(CC=O)CCCC(C)(C)O": {
"source_cas": "107-75-5",
"pubchem_cid": 7888,
"pubchem_name": "Hydroxycitronellal"
},
"SMILES:CC(C)=CCC[C@H](C)CCO": {
"source_cas": "7540-51-4",
"pubchem_cid": 7793,
"pubchem_name": "l-Citronellol"
},
"SMILES:CCCCCCC#CC(=O)OC": {
"source_cas": "111-80-8",
"pubchem_cid": 8137,
"pubchem_name": "Methyl 2-nonynoate"
},
"SMILES:CC(=O)C(C)=O": {
"source_cas": "431-03-8",
"pubchem_cid": 650,
"pubchem_name": "2,3-butanedione"
},
"SMILES:CCCCCCCCCC(=O)O": {
"source_cas": "334-48-5",
"pubchem_cid": 2969,
"pubchem_name": "Decanoic acid"
},
"SMILES:CSC": {
"source_cas": "75-18-3",
"pubchem_cid": 1068,
"pubchem_name": "dimethyl sulfide"
},
"SMILES:CC(C)(O)C(C)(C)O": {
"source_cas": "76-09-5",
"pubchem_cid": 6425,
"pubchem_name": "PINACOL"
},
"SMILES:CCCCCCCOC=O": {
"source_cas": "112-23-2",
"pubchem_cid": 8169,
"pubchem_name": "Heptyl formate"
},
"SMILES:CCCCCCCCCCCC(=O)OC": {
"source_cas": "111-82-0",
"pubchem_cid": 8139,
"pubchem_name": "Methyl laurate"
},
"SMILES:CC(C)=CCCC(C)CC=O": {
"source_cas": "106-23-0",
"pubchem_cid": 7794,
"pubchem_name": "CITRONELLAL"
},
"SMILES:CC(=O)c1ccccc1": {
"source_cas": "98-86-2",
"pubchem_cid": 7410,
"pubchem_name": "ACETOPHENONE"
},
"SMILES:CCCCCCCCCC(C)=O": {
"source_cas": "112-12-9",
"pubchem_cid": 8163,
"pubchem_name": "2-Undecanone"
},
"SMILES:CC(=O)c1ccc(C)cc1C": {
"source_cas": "89-74-7",
"pubchem_cid": 6985,
"pubchem_name": "2,4-Dimethylacetophenone"
},
"SMILES:CC(=O)c1ccc(Cl)cc1": {
"source_cas": "99-91-2",
"pubchem_cid": 7467,
"pubchem_name": "4'-Chloroacetophenone"
},
"SMILES:COC(=O)Cc1ccccc1": {
"source_cas": "101-41-7",
"pubchem_cid": 7559,
"pubchem_name": "METHYL PHENYLACETATE"
}
}
}
|