4-[(3,4-dicarboxyphenyl)-oxidanyl-phosphoryl]phthalic acid

Systemtic Name: 4-[(3,4-dicarboxyphenyl)-oxidanyl-phosphoryl]phthalic acid Openeye Name: 4-[(3,4-dicarboxyphenyl)-hydroxy-phosphoryl]phthalic acid CAS Name: 4-[(3,4-dicarboxyphenyl)-hydroxyphosphoryl]phthalic acid IUPAC Name: 4-[(3,4-dicarboxyphenyl)-hydroxyphosphoryl]phthalic acid Traditional Name: 4-[(3,4-dicarboxyphenyl)-hydroxy-phosphoryl]phthalic acid Formula: C16H11O10P MolecularWeight: 394.226301

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1P(=O)(C2=CC(=C(C=C2)C(=O)O)C(=O)O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1P(=O)(C2=CC(=C(C=C2)C(=O)O)C(=O)O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C16H11O10P/c17-13(18)9-3-1-7(5-11(9)15(21)22)27(25,26)8-2-4-10(14(19)20)12(6-8)16(23)24/h1-6H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,25,26)