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

Systemtic Name: 4-[2-(1,3-benzodioxol-5-yl)-1,3-bis(oxidanyl)-3-oxidanylidene-propyl]benzoic acid Openeye Name: 4-[2-(1,3-benzodioxol-5-yl)-1,3-dihydroxy-3-oxo-propyl]benzoic acid CAS Name: 4-[2-(1,3-benzodioxol-5-yl)-1,3-dihydroxy-3-oxopropyl]benzoic acid IUPAC Name: 4-[2-(1,3-benzodioxol-5-yl)-1,3-dihydroxy-3-oxopropyl]benzoic acid Traditional Name: 4-[2-(1,3-benzodioxol-5-yl)-1,3-dihydroxy-3-keto-propyl]benzoic acid Formula: C17H14O7 MolecularWeight: 330.28886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14O7/c18-15(9-1-3-10(4-2-9)16(19)20)14(17(21)22)11-5-6-12-13(7-11)24-8-23-12/h1-7,14-15,18H,8H2,(H,19,20)(H,21,22)