{ "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" } } }