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

Systemtic Name: 2-[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxy-3-oxidanyl-butanedioic acid Openeye Name: 2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxy-butanedioic acid CAS Name: 2-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-3-hydroxybutanedioic acid IUPAC Name: 2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxybutanedioic acid Traditional Name: 2-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-3-hydroxy-succinic acid Formula: C13H12O9 MolecularWeight: 312.22898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+