4-[(E)-3-[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-[(E)-3-[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-[(E)-3-[4-(2-hydroxy-1,1-dimethyl-2-oxo-ethoxy)-2-methoxy-5-(2-thienyl)phenyl]prop-2-enoyl]benzoic acid CAS Name: 4-[(E)-3-[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-[(E)-3-[4-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxy-2-methoxy-5-thiophen-2-ylphenyl]prop-2-enoyl]benzoic acid Traditional Name: 4-[(E)-3-[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=CC(=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/c1-25(2,24(29)30)32-21-14-20(31-3)17(13-18(21)22-5-4-12-33-22)10-11-19(26)15-6-8-16(9-7-15)23(27)28/h4-14H,1-3H3,(H,27,28)(H,29,30)/b11-10+