4-[[4-[(4-ethanoyl-2-methyl-3-oxidanyl-phenyl)sulfanylmethyl]phenyl]methyl]benzoic acid

Systemtic Name: 4-[[4-[(4-ethanoyl-2-methyl-3-oxidanyl-phenyl)sulfanylmethyl]phenyl]methyl]benzoic acid Openeye Name: 4-[[4-[(4-acetyl-3-hydroxy-2-methyl-phenyl)sulfanylmethyl]phenyl]methyl]benzoic acid CAS Name: 4-[[4-[[(4-acetyl-3-hydroxy-2-methylphenyl)thio]methyl]phenyl]methyl]benzoic acid IUPAC Name: 4-[[4-[(4-acetyl-3-hydroxy-2-methylphenyl)sulfanylmethyl]phenyl]methyl]benzoic acid Traditional Name: 4-[4-[[(4-acetyl-3-hydroxy-2-methyl-phenyl)thio]methyl]benzyl]benzoic acid Formula: C24H22O4S MolecularWeight: 406.49408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1O)C(=O)C)SCC2=CC=C(C=C2)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1O)C(=O)C)SCC2=CC=C(C=C2)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H22O4S/c1-15-22(12-11-21(16(2)25)23(15)26)29-14-19-5-3-17(4-6-19)13-18-7-9-20(10-8-18)24(27)28/h3-12,26H,13-14H2,1-2H3,(H,27,28)