4-[(3,4-dicarboxylatophenyl)-oxidanyl-methyl]phthalate

Systemtic Name: 4-[(3,4-dicarboxylatophenyl)-oxidanyl-methyl]phthalate Openeye Name: 4-[(3,4-dicarboxylatophenyl)-hydroxy-methyl]phthalate CAS Name: 4-[(3,4-dicarboxylatophenyl)-hydroxymethyl]phthalate IUPAC Name: 4-[(3,4-dicarboxylatophenyl)-hydroxymethyl]phthalate Traditional Name: 4-[(3,4-dicarboxylatophenyl)-hydroxy-methyl]phthalate Formula: C17H8O9-4 MolecularWeight: 356.24002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(C2=CC(=C(C=C2)C(=O)[O-])C(=O)[O-])O)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C(C2=CC(=C(C=C2)C(=O)[O-])C(=O)[O-])O)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C17H12O9/c18-13(7-1-3-9(14(19)20)11(5-7)16(23)24)8-2-4-10(15(21)22)12(6-8)17(25)26/h1-6,13,18H,(H,19,20)(H,21,22)(H,23,24)(H,25,26)/p-4