[[3-methyl-5-[[3-methyl-2-oxidanyl-5-(phosphonomethylamino)phenyl]methyl]-4-oxidanyl-phenyl]amino]methylphosphonic acid

Systemtic Name: [[3-methyl-5-[[3-methyl-2-oxidanyl-5-(phosphonomethylamino)phenyl]methyl]-4-oxidanyl-phenyl]amino]methylphosphonic acid Openeye Name: [4-hydroxy-3-[[2-hydroxy-3-methyl-5-(phosphonomethylamino)phenyl]methyl]-5-methyl-anilino]methylphosphonic acid CAS Name: [4-hydroxy-3-[[2-hydroxy-3-methyl-5-(phosphonomethylamino)phenyl]methyl]-5-methylanilino]methylphosphonic acid IUPAC Name: [4-hydroxy-3-[[2-hydroxy-3-methyl-5-(phosphonomethylamino)phenyl]methyl]-5-methylanilino]methylphosphonic acid Traditional Name: [4-hydroxy-3-[2-hydroxy-3-methyl-5-(phosphonomethylamino)benzyl]-5-methyl-anilino]methylphosphonic acid Formula: C17H24N2O8P2 MolecularWeight: 446.328582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)CC2=C(C(=CC(=C2)NCP(=O)(O)O)C)O)NCP(=O)(O)O

Isomeric SMILES

CC1=CC(=CC(=C1O)CC2=C(C(=CC(=C2)NCP(=O)(O)O)C)O)NCP(=O)(O)O

InChI

InChI=1S/C17H24N2O8P2/c1-10-3-14(18-8-28(22,23)24)6-12(16(10)20)5-13-7-15(4-11(2)17(13)21)19-9-29(25,26)27/h3-4,6-7,18-21H,5,8-9H2,1-2H3,(H2,22,23,24)(H2,25,26,27)