methyl 4-[4-cyclohexyl-2-(ethylsulfanylmethyl)butyl]-2-(2-methylphenyl)benzoate

Systemtic Name: methyl 4-[4-cyclohexyl-2-(ethylsulfanylmethyl)butyl]-2-(2-methylphenyl)benzoate Openeye Name: methyl 4-[4-cyclohexyl-2-(ethylsulfanylmethyl)butyl]-2-(o-tolyl)benzoate CAS Name: 4-[4-cyclohexyl-2-[(ethylthio)methyl]butyl]-2-(2-methylphenyl)benzoic acid methyl ester IUPAC Name: methyl 4-[4-cyclohexyl-2-(ethylsulfanylmethyl)butyl]-2-(2-methylphenyl)benzoate Traditional Name: 4-[4-cyclohexyl-2-[(ethylthio)methyl]butyl]-2-(o-tolyl)benzoic acid methyl ester Formula: C28H38O2S MolecularWeight: 438.66512

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC(CCC1CCCCC1)CC2=CC(=C(C=C2)C(=O)OC)C3=CC=CC=C3C

Isomeric SMILES

CCSCC(CCC1CCCCC1)CC2=CC(=C(C=C2)C(=O)OC)C3=CC=CC=C3C

InChI

InChI=1S/C28H38O2S/c1-4-31-20-24(15-14-22-11-6-5-7-12-22)18-23-16-17-26(28(29)30-3)27(19-23)25-13-9-8-10-21(25)2/h8-10,13,16-17,19,22,24H,4-7,11-12,14-15,18,20H2,1-3H3