3-[[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxymethyl]-2,3,4-tris(oxidanyl)butanoic acid

Systemtic Name: 3-[[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxymethyl]-2,3,4-tris(oxidanyl)butanoic acid Openeye Name: 3-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-2,3,4-trihydroxy-butanoic acid CAS Name: 3-[[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]methyl]-2,3,4-trihydroxybutanoic acid IUPAC Name: 3-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-2,3,4-trihydroxybutanoic acid Traditional Name: 3-[[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxymethyl]-2,3,4-trihydroxy-butyric acid Formula: C14H16O9 MolecularWeight: 328.27144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC(=O)OCC(CO)(C(C(=O)O)O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1/C=C/C(=O)OCC(CO)(C(C(=O)O)O)O)O)O

InChI

InChI=1S/C14H16O9/c15-6-14(22,12(19)13(20)21)7-23-11(18)4-2-8-1-3-9(16)10(17)5-8/h1-5,12,15-17,19,22H,6-7H2,(H,20,21)/b4-2+