(E)-4-[2-(hydroxymethyl)-3-methoxy-6-(phenylcarbonyl)phenoxy]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[2-(hydroxymethyl)-3-methoxy-6-(phenylcarbonyl)phenoxy]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[6-benzoyl-2-(hydroxymethyl)-3-methoxy-phenoxy]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[6-benzoyl-2-(hydroxymethyl)-3-methoxyphenoxy]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[6-benzoyl-2-(hydroxymethyl)-3-methoxyphenoxy]-4-oxobut-2-enoic acid Traditional Name: (E)-4-(6-benzoyl-3-methoxy-2-methylol-phenoxy)-4-keto-but-2-enoic acid Formula: C19H16O7 MolecularWeight: 356.32614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)C2=CC=CC=C2)OC(=O)C=CC(=O)O)CO

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)C2=CC=CC=C2)OC(=O)/C=C/C(=O)O)CO

InChI

InChI=1S/C19H16O7/c1-25-15-8-7-13(18(24)12-5-3-2-4-6-12)19(14(15)11-20)26-17(23)10-9-16(21)22/h2-10,20H,11H2,1H3,(H,21,22)/b10-9+