3-[(2,3-dicarboxyphenyl)-oxidanyl-phosphoryl]phthalic acid

Systemtic Name: 3-[(2,3-dicarboxyphenyl)-oxidanyl-phosphoryl]phthalic acid Openeye Name: 3-[(2,3-dicarboxyphenyl)-hydroxy-phosphoryl]phthalic acid CAS Name: 3-[(2,3-dicarboxyphenyl)-hydroxyphosphoryl]phthalic acid IUPAC Name: 3-[(2,3-dicarboxyphenyl)-hydroxyphosphoryl]phthalic acid Traditional Name: 3-[(2,3-dicarboxyphenyl)-hydroxy-phosphoryl]phthalic acid Formula: C16H11O10P MolecularWeight: 394.226301

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)P(=O)(C2=CC=CC(=C2C(=O)O)C(=O)O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)P(=O)(C2=CC=CC(=C2C(=O)O)C(=O)O)O)C(=O)O)C(=O)O

InChI

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