(E)-4-oxidanyl-2-oxidanylidene-4-[7-(phenylmethyl)-1,3-benzodioxol-5-yl]but-3-enoic acid

Systemtic Name: (E)-4-oxidanyl-2-oxidanylidene-4-[7-(phenylmethyl)-1,3-benzodioxol-5-yl]but-3-enoic acid Openeye Name: (E)-4-(7-benzyl-1,3-benzodioxol-5-yl)-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-hydroxy-2-oxo-4-[7-(phenylmethyl)-1,3-benzodioxol-5-yl]-3-butenoic acid IUPAC Name: (E)-4-(7-benzyl-1,3-benzodioxol-5-yl)-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-(7-benzyl-1,3-benzodioxol-5-yl)-4-hydroxy-2-keto-but-3-enoic acid Formula: C18H14O6 MolecularWeight: 326.30016

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC(=CC(=C2O1)CC3=CC=CC=C3)C(=CC(=O)C(=O)O)O

Isomeric SMILES

C1OC2=CC(=CC(=C2O1)CC3=CC=CC=C3)/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C18H14O6/c19-14(9-15(20)18(21)22)12-7-13(6-11-4-2-1-3-5-11)17-16(8-12)23-10-24-17/h1-5,7-9,19H,6,10H2,(H,21,22)/b14-9+