2-[(Z)-1-(1,3-benzodioxol-5-yl)-3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl]benzoic acid

Systemtic Name: 2-[(Z)-1-(1,3-benzodioxol-5-yl)-3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl]benzoic acid Openeye Name: 2-[(Z)-2-(1,3-benzodioxol-5-yl)-1-carboxy-vinyl]benzoic acid CAS Name: 2-[(Z)-1-(1,3-benzodioxol-5-yl)-3-hydroxy-3-oxoprop-1-en-2-yl]benzoic acid IUPAC Name: 2-[(Z)-1-(1,3-benzodioxol-5-yl)-3-hydroxy-3-oxoprop-1-en-2-yl]benzoic acid Traditional Name: 2-[(Z)-2-(1,3-benzodioxol-5-yl)-1-carboxy-vinyl]benzoic acid Formula: C17H12O6 MolecularWeight: 312.27358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C3=CC=CC=C3C(=O)O)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C(/C3=CC=CC=C3C(=O)O)\C(=O)O

InChI

InChI=1S/C17H12O6/c18-16(19)12-4-2-1-3-11(12)13(17(20)21)7-10-5-6-14-15(8-10)23-9-22-14/h1-8H,9H2,(H,18,19)(H,20,21)/b13-7-