[5-methyl-3-[2-[(5-methyl-2-oxidanyl-3-phosphono-phenyl)amino]ethylamino]-2-oxidanyl-phenyl]phosphonic acid

Systemtic Name: [5-methyl-3-[2-[(5-methyl-2-oxidanyl-3-phosphono-phenyl)amino]ethylamino]-2-oxidanyl-phenyl]phosphonic acid Openeye Name: [2-hydroxy-3-[2-(2-hydroxy-5-methyl-3-phosphono-anilino)ethylamino]-5-methyl-phenyl]phosphonic acid CAS Name: [2-hydroxy-3-[2-(2-hydroxy-5-methyl-3-phosphonoanilino)ethylamino]-5-methylphenyl]phosphonic acid IUPAC Name: [2-hydroxy-3-[2-(2-hydroxy-5-methyl-3-phosphonoanilino)ethylamino]-5-methylphenyl]phosphonic acid Traditional Name: [2-hydroxy-3-[2-(2-hydroxy-5-methyl-3-phosphono-anilino)ethylamino]-5-methyl-phenyl]phosphonic acid Formula: C16H22N2O8P2 MolecularWeight: 432.302002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)P(=O)(O)O)O)NCCNC2=C(C(=CC(=C2)C)P(=O)(O)O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)P(=O)(O)O)O)NCCNC2=C(C(=CC(=C2)C)P(=O)(O)O)O

InChI

InChI=1S/C16H22N2O8P2/c1-9-5-11(15(19)13(7-9)27(21,22)23)17-3-4-18-12-6-10(2)8-14(16(12)20)28(24,25)26/h5-8,17-20H,3-4H2,1-2H3,(H2,21,22,23)(H2,24,25,26)