4-[2-(4-oxidanyl-1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 4-[2-(4-oxidanyl-1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 4-[2-(4-hydroxy-1,3-benzodioxol-5-yl)-2-oxo-ethyl]benzoic acid CAS Name: 4-[2-(4-hydroxy-1,3-benzodioxol-5-yl)-2-oxoethyl]benzoic acid IUPAC Name: 4-[2-(4-hydroxy-1,3-benzodioxol-5-yl)-2-oxoethyl]benzoic acid Traditional Name: 4-[2-(4-hydroxy-1,3-benzodioxol-5-yl)-2-keto-ethyl]benzoic acid Formula: C16H12O6 MolecularWeight: 300.26288

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=C(C=C2)C(=O)CC3=CC=C(C=C3)C(=O)O)O

Isomeric SMILES

C1OC2=C(O1)C(=C(C=C2)C(=O)CC3=CC=C(C=C3)C(=O)O)O

InChI

InChI=1S/C16H12O6/c17-12(7-9-1-3-10(4-2-9)16(19)20)11-5-6-13-15(14(11)18)22-8-21-13/h1-6,18H,7-8H2,(H,19,20)