4-[3-(1-methylcyclohexyl)phenyl]carbonylsulfanylbenzoic acid

Systemtic Name: 4-[3-(1-methylcyclohexyl)phenyl]carbonylsulfanylbenzoic acid Openeye Name: 4-[3-(1-methylcyclohexyl)benzoyl]sulfanylbenzoic acid CAS Name: 4-[[[3-(1-methylcyclohexyl)phenyl]-oxomethyl]thio]benzoic acid IUPAC Name: 4-[3-(1-methylcyclohexyl)benzoyl]sulfanylbenzoic acid Traditional Name: 4-[[3-(1-methylcyclohexyl)benzoyl]thio]benzoic acid Formula: C21H22O3S MolecularWeight: 354.46258

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)C2=CC=CC(=C2)C(=O)SC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1(CCCCC1)C2=CC=CC(=C2)C(=O)SC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H22O3S/c1-21(12-3-2-4-13-21)17-7-5-6-16(14-17)20(24)25-18-10-8-15(9-11-18)19(22)23/h5-11,14H,2-4,12-13H2,1H3,(H,22,23)