2-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]oxy-3-oxidanyl-butanedioic acid

Systemtic Name: 2-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]oxy-3-oxidanyl-butanedioic acid Openeye Name: 2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]oxy-butanedioic acid CAS Name: 2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enoxy]butanedioic acid IUPAC Name: 2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxybutanedioic acid Traditional Name: 2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxy-phenyl)acryloyl]oxy-succinic acid Formula: C14H14O9 MolecularWeight: 326.25556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14O9/c1-22-9-6-7(2-4-8(9)15)3-5-10(16)23-12(14(20)21)11(17)13(18)19/h2-6,11-12,15,17H,1H3,(H,18,19)(H,20,21)/b5-3+