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

Systemtic Name: 3-[[4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)sulfanylmethyl]phenyl]methyl]benzoic acid Openeye Name: 3-[[4-[(4-acetyl-3-hydroxy-2-propyl-phenyl)sulfanylmethyl]phenyl]methyl]benzoic acid CAS Name: 3-[[4-[[(4-acetyl-3-hydroxy-2-propylphenyl)thio]methyl]phenyl]methyl]benzoic acid IUPAC Name: 3-[[4-[(4-acetyl-3-hydroxy-2-propylphenyl)sulfanylmethyl]phenyl]methyl]benzoic acid Traditional Name: 3-[4-[[(4-acetyl-3-hydroxy-2-propyl-phenyl)thio]methyl]benzyl]benzoic acid Formula: C26H26O4S MolecularWeight: 434.54724

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)SCC2=CC=C(C=C2)CC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)SCC2=CC=C(C=C2)CC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C26H26O4S/c1-3-5-23-24(13-12-22(17(2)27)25(23)28)31-16-19-10-8-18(9-11-19)14-20-6-4-7-21(15-20)26(29)30/h4,6-13,15,28H,3,5,14,16H2,1-2H3,(H,29,30)