4-[2-[2-[2-(hydroxymethyl)-3-oxidanyl-propoxy]-4-methoxy-5-thiophen-2-yl-phenyl]prop-2-enoyl]benzoic acid

Systemtic Name: 4-[2-[2-[2-(hydroxymethyl)-3-oxidanyl-propoxy]-4-methoxy-5-thiophen-2-yl-phenyl]prop-2-enoyl]benzoic acid Openeye Name: 4-[2-[2-[3-hydroxy-2-(hydroxymethyl)propoxy]-4-methoxy-5-(2-thienyl)phenyl]prop-2-enoyl]benzoic acid CAS Name: 4-[2-[2-[3-hydroxy-2-(hydroxymethyl)propoxy]-4-methoxy-5-thiophen-2-ylphenyl]-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 4-[2-[2-[3-hydroxy-2-(hydroxymethyl)propoxy]-4-methoxy-5-thiophen-2-ylphenyl]prop-2-enoyl]benzoic acid Traditional Name: 4-[2-[2-(3-hydroxy-2-methylol-propoxy)-4-methoxy-5-(2-thienyl)phenyl]acryloyl]benzoic acid Formula: C25H24O7S MolecularWeight: 468.51886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=CC=CS2)C(=C)C(=O)C3=CC=C(C=C3)C(=O)O)OCC(CO)CO

Isomeric SMILES

COC1=CC(=C(C=C1C2=CC=CS2)C(=C)C(=O)C3=CC=C(C=C3)C(=O)O)OCC(CO)CO

InChI

InChI=1S/C25H24O7S/c1-15(24(28)17-5-7-18(8-6-17)25(29)30)19-10-20(23-4-3-9-33-23)21(31-2)11-22(19)32-14-16(12-26)13-27/h3-11,16,26-27H,1,12-14H2,2H3,(H,29,30)