(2S)-2-[(E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enoyl]oxybutanedioic acid

Systemtic Name: (2S)-2-[(E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enoyl]oxybutanedioic acid Openeye Name: (2S)-2-[(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoyl]oxybutanedioic acid CAS Name: (2S)-2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxoprop-2-enoxy]butanedioic acid IUPAC Name: (2S)-2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxybutanedioic acid Traditional Name: (2S)-2-[(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acryloyl]oxysuccinic acid Formula: C15H16O9 MolecularWeight: 340.28214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C=CC(=O)OC(CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)/C=C/C(=O)O[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C15H16O9/c1-22-9-5-8(6-10(23-2)14(9)19)3-4-13(18)24-11(15(20)21)7-12(16)17/h3-6,11,19H,7H2,1-2H3,(H,16,17)(H,20,21)/b4-3+/t11-/m0/s1