methyl 5-hexylsulfanyl-3-phenyl-2-(phenylcarbonyl)benzoate

Systemtic Name: methyl 5-hexylsulfanyl-3-phenyl-2-(phenylcarbonyl)benzoate Openeye Name: methyl 2-benzoyl-5-hexylsulfanyl-3-phenyl-benzoate CAS Name: 2-benzoyl-5-(hexylthio)-3-phenylbenzoic acid methyl ester IUPAC Name: methyl 2-benzoyl-5-hexylsulfanyl-3-phenylbenzoate Traditional Name: 2-benzoyl-5-(hexylthio)-3-phenyl-benzoic acid methyl ester Formula: C27H28O3S MolecularWeight: 432.57442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=CC(=C(C(=C1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCCCCSC1=CC(=C(C(=C1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C27H28O3S/c1-3-4-5-12-17-31-22-18-23(20-13-8-6-9-14-20)25(24(19-22)27(29)30-2)26(28)21-15-10-7-11-16-21/h6-11,13-16,18-19H,3-5,12,17H2,1-2H3