2-[(2-carboxy-3-methyl-phenyl)-oxidanyl-phosphoryl]-6-methyl-benzoic acid

Systemtic Name: 2-[(2-carboxy-3-methyl-phenyl)-oxidanyl-phosphoryl]-6-methyl-benzoic acid Openeye Name: 2-[(2-carboxy-3-methyl-phenyl)-hydroxy-phosphoryl]-6-methyl-benzoic acid CAS Name: 2-[(2-carboxy-3-methylphenyl)-hydroxyphosphoryl]-6-methylbenzoic acid IUPAC Name: 2-[(2-carboxy-3-methylphenyl)-hydroxyphosphoryl]-6-methylbenzoic acid Traditional Name: 2-[(2-carboxy-3-methyl-phenyl)-hydroxy-phosphoryl]-6-methyl-benzoic acid Formula: C16H15O6P MolecularWeight: 334.260461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)P(=O)(C2=CC=CC(=C2C(=O)O)C)O)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)P(=O)(C2=CC=CC(=C2C(=O)O)C)O)C(=O)O

InChI

InChI=1S/C16H15O6P/c1-9-5-3-7-11(13(9)15(17)18)23(21,22)12-8-4-6-10(2)14(12)16(19)20/h3-8H,1-2H3,(H,17,18)(H,19,20)(H,21,22)