4-[4-[(2,4-dimethyl-5-oxidanyl-3-oxidanylidene-thiophen-2-yl)methyl]phenyl]benzoic acid

Systemtic Name: 4-[4-[(2,4-dimethyl-5-oxidanyl-3-oxidanylidene-thiophen-2-yl)methyl]phenyl]benzoic acid Openeye Name: 4-[4-[(5-hydroxy-2,4-dimethyl-3-oxo-2-thienyl)methyl]phenyl]benzoic acid CAS Name: 4-[4-[(5-hydroxy-2,4-dimethyl-3-oxo-2-thiophenyl)methyl]phenyl]benzoic acid IUPAC Name: 4-[4-[(5-hydroxy-2,4-dimethyl-3-oxothiophen-2-yl)methyl]phenyl]benzoic acid Traditional Name: 4-[4-[(5-hydroxy-3-keto-2,4-dimethyl-2-thienyl)methyl]phenyl]benzoic acid Formula: C20H18O4S MolecularWeight: 354.41952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(C1=O)(C)CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O)O

Isomeric SMILES

CC1=C(SC(C1=O)(C)CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O)O

InChI

InChI=1S/C20H18O4S/c1-12-17(21)20(2,25-19(12)24)11-13-3-5-14(6-4-13)15-7-9-16(10-8-15)18(22)23/h3-10,24H,11H2,1-2H3,(H,22,23)