(E)-3-[7-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-1,3-benzodioxol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[7-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-1,3-benzodioxol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[7-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-1,3-benzodioxol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[7-[(E)-3-hydroxy-3-oxoprop-1-enyl]-1,3-benzodioxol-4-yl]-2-propenoic acid IUPAC Name: (E)-3-[7-[(E)-3-hydroxy-3-oxoprop-1-enyl]-1,3-benzodioxol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[7-[(E)-3-hydroxy-3-keto-prop-1-enyl]-1,3-benzodioxol-4-yl]acrylic acid Formula: C13H10O6 MolecularWeight: 262.2149

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(C=CC(=C2O1)C=CC(=O)O)C=CC(=O)O

Isomeric SMILES

C1OC2=C(C=CC(=C2O1)/C=C/C(=O)O)/C=C/C(=O)O

InChI

InChI=1S/C13H10O6/c14-10(15)5-3-8-1-2-9(4-6-11(16)17)13-12(8)18-7-19-13/h1-6H,7H2,(H,14,15)(H,16,17)/b5-3+,6-4+