methyl 6,6-dimethyl-2-(phenylmethylsulfanyl)cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: methyl 6,6-dimethyl-2-(phenylmethylsulfanyl)cyclohexa-2,4-diene-1-carboxylate Openeye Name: methyl 2-benzylsulfanyl-6,6-dimethyl-cyclohexa-2,4-diene-1-carboxylate CAS Name: 6,6-dimethyl-2-(phenylmethylthio)-1-cyclohexa-2,4-dienecarboxylic acid methyl ester IUPAC Name: methyl 2-benzylsulfanyl-6,6-dimethylcyclohexa-2,4-diene-1-carboxylate Traditional Name: 2-(benzylthio)-6,6-dimethyl-cyclohexa-2,4-diene-1-carboxylic acid methyl ester Formula: C17H20O2S MolecularWeight: 288.4045

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC=C(C1C(=O)OC)SCC2=CC=CC=C2)C

Isomeric SMILES

CC1(C=CC=C(C1C(=O)OC)SCC2=CC=CC=C2)C

InChI

InChI=1S/C17H20O2S/c1-17(2)11-7-10-14(15(17)16(18)19-3)20-12-13-8-5-4-6-9-13/h4-11,15H,12H2,1-3H3