(E)-4-[5-(1,3-benzodioxol-4-ylmethyl)furan-2-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[5-(1,3-benzodioxol-4-ylmethyl)furan-2-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[5-(1,3-benzodioxol-4-ylmethyl)-2-furyl]-2-hydroxy-4-oxo-but-2-enoic acid CAS Name: (E)-4-[5-(1,3-benzodioxol-4-ylmethyl)-2-furanyl]-2-hydroxy-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[5-(1,3-benzodioxol-4-ylmethyl)furan-2-yl]-2-hydroxy-4-oxobut-2-enoic acid Traditional Name: (E)-4-[5-(1,3-benzodioxol-4-ylmethyl)-2-furyl]-2-hydroxy-4-keto-but-2-enoic acid Formula: C16H12O7 MolecularWeight: 316.26228

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC=CC(=C2O1)CC3=CC=C(O3)C(=O)C=C(C(=O)O)O

Isomeric SMILES

C1OC2=CC=CC(=C2O1)CC3=CC=C(O3)C(=O)/C=C(\C(=O)O)/O

InChI

InChI=1S/C16H12O7/c17-11(7-12(18)16(19)20)13-5-4-10(23-13)6-9-2-1-3-14-15(9)22-8-21-14/h1-5,7,18H,6,8H2,(H,19,20)/b12-7+