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

Systemtic Name: (2S)-2,3-bis[[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxy]propanoic acid Openeye Name: (2S)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]propanoic acid CAS Name: (2S)-2,3-bis[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]propanoic acid IUPAC Name: (2S)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]propanoic acid Traditional Name: (2S)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy]propionic acid Formula: C21H18O10 MolecularWeight: 430.36162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC(=O)OCC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1/C=C/C(=O)OC[C@@H](C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O

InChI

InChI=1S/C21H18O10/c22-14-5-1-12(9-16(14)24)3-7-19(26)30-11-18(21(28)29)31-20(27)8-4-13-2-6-15(23)17(25)10-13/h1-10,18,22-25H,11H2,(H,28,29)/b7-3+,8-4+/t18-/m0/s1