S-(4-pentylcyclohex-3-en-1-yl) 4-[2-(4-methylcyclohex-3-en-1-yl)ethyl]benzenecarbothioate

Systemtic Name: S-(4-pentylcyclohex-3-en-1-yl) 4-[2-(4-methylcyclohex-3-en-1-yl)ethyl]benzenecarbothioate Openeye Name: S-(4-pentylcyclohex-3-en-1-yl) 4-[2-(4-methylcyclohex-3-en-1-yl)ethyl]benzenecarbothioate CAS Name: 4-[2-(4-methyl-1-cyclohex-3-enyl)ethyl]benzenecarbothioic acid S-(4-pentyl-1-cyclohex-3-enyl) ester IUPAC Name: S-(4-pentylcyclohex-3-en-1-yl) 4-[2-(4-methylcyclohex-3-en-1-yl)ethyl]benzenecarbothioate Traditional Name: 4-[2-(4-methylcyclohex-3-en-1-yl)ethyl]thiobenzoic acid S-(4-amylcyclohex-3-en-1-yl) ester Formula: C27H38OS MolecularWeight: 410.65502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CCC(CC1)SC(=O)C2=CC=C(C=C2)CCC3CCC(=CC3)C

Isomeric SMILES

CCCCCC1=CCC(CC1)SC(=O)C2=CC=C(C=C2)CCC3CCC(=CC3)C

InChI

InChI=1S/C27H38OS/c1-3-4-5-6-22-15-19-26(20-16-22)29-27(28)25-17-13-24(14-18-25)12-11-23-9-7-21(2)8-10-23/h7,13-15,17-18,23,26H,3-6,8-12,16,19-20H2,1-2H3