4-[2-[2-methoxy-4-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxy-5-thiophen-2-yl-phenyl]prop-2-enoyl]benzoic acid

Systemtic Name: 4-[2-[2-methoxy-4-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxy-5-thiophen-2-yl-phenyl]prop-2-enoyl]benzoic acid Openeye Name: 4-[2-[4-(2-hydroxy-1,1-dimethyl-2-oxo-ethoxy)-2-methoxy-5-(2-thienyl)phenyl]prop-2-enoyl]benzoic acid CAS Name: 4-[2-[4-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxy-2-methoxy-5-thiophen-2-ylphenyl]-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 4-[2-[4-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxy-2-methoxy-5-thiophen-2-ylphenyl]prop-2-enoyl]benzoic acid Traditional Name: 4-[2-[4-(2-hydroxy-2-keto-1,1-dimethyl-ethoxy)-2-methoxy-5-(2-thienyl)phenyl]acryloyl]benzoic acid Formula: C25H22O7S MolecularWeight: 466.50298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC(=C(C=C1C2=CC=CS2)C(=C)C(=O)C3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC(=C(C=C1C2=CC=CS2)C(=C)C(=O)C3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C25H22O7S/c1-14(22(26)15-7-9-16(10-8-15)23(27)28)17-12-18(21-6-5-11-33-21)20(13-19(17)31-4)32-25(2,3)24(29)30/h5-13H,1H2,2-4H3,(H,27,28)(H,29,30)