3-(3,4-dicarboxyphenyl)phthalic acid hydrate

Systemtic Name: 3-(3,4-dicarboxyphenyl)phthalic acid hydrate Openeye Name: 3-(3,4-dicarboxyphenyl)phthalic acid hydrate CAS Name: 3-(3,4-dicarboxyphenyl)phthalic acid hydrate IUPAC Name: 3-(3,4-dicarboxyphenyl)phthalic acid hydrate Traditional Name: 3-(3,4-dicarboxyphenyl)phthalic acid hydrate Formula: C16H12O9 MolecularWeight: 348.26108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)C(=O)O)C(=O)O)C2=CC(=C(C=C2)C(=O)O)C(=O)O.O

Isomeric SMILES

C1=CC(=C(C(=C1)C(=O)O)C(=O)O)C2=CC(=C(C=C2)C(=O)O)C(=O)O.O

InChI

InChI=1S/C16H10O8.H2O/c17-13(18)9-5-4-7(6-11(9)15(21)22)8-2-1-3-10(14(19)20)12(8)16(23)24;/h1-6H,(H,17,18)(H,19,20)(H,21,22)(H,23,24);1H2