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

Systemtic Name: 4-[[3-[(4-ethanoyl-2-methyl-3-oxidanyl-phenyl)sulfanylmethyl]phenyl]methyl]benzoic acid Openeye Name: 4-[[3-[(4-acetyl-3-hydroxy-2-methyl-phenyl)sulfanylmethyl]phenyl]methyl]benzoic acid CAS Name: 4-[[3-[[(4-acetyl-3-hydroxy-2-methylphenyl)thio]methyl]phenyl]methyl]benzoic acid IUPAC Name: 4-[[3-[(4-acetyl-3-hydroxy-2-methylphenyl)sulfanylmethyl]phenyl]methyl]benzoic acid Traditional Name: 4-[3-[[(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=CC(=C2)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

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