2-(6-carboxy-2,4-dimethyl-3-phosphono-phenyl)-3,5-dimethyl-4-phosphono-benzoic acid

Systemtic Name: 2-(6-carboxy-2,4-dimethyl-3-phosphono-phenyl)-3,5-dimethyl-4-phosphono-benzoic acid Openeye Name: 2-(6-carboxy-2,4-dimethyl-3-phosphono-phenyl)-3,5-dimethyl-4-phosphono-benzoic acid CAS Name: 2-(6-carboxy-2,4-dimethyl-3-phosphonophenyl)-3,5-dimethyl-4-phosphonobenzoic acid IUPAC Name: 2-(6-carboxy-2,4-dimethyl-3-phosphonophenyl)-3,5-dimethyl-4-phosphonobenzoic acid Traditional Name: 2-(6-carboxy-2,4-dimethyl-3-phosphono-phenyl)-3,5-dimethyl-4-phosphono-benzoic acid Formula: C18H20O10P2 MolecularWeight: 458.292922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20O10P2/c1-7-5-11(17(19)20)13(9(3)15(7)29(23,24)25)14-10(4)16(30(26,27)28)8(2)6-12(14)18(21)22/h5-6H,1-4H3,(H,19,20)(H,21,22)(H2,23,24,25)(H2,26,27,28)