[[diphosphonomethyl-[(4-hydroxyphenyl)methyl]amino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[diphosphonomethyl-[(4-hydroxyphenyl)methyl]amino]-phosphono-methyl]phosphonic acid Openeye Name: [[diphosphonomethyl-[(4-hydroxyphenyl)methyl]amino]-phosphono-methyl]phosphonic acid CAS Name: [[diphosphonomethyl-[(4-hydroxyphenyl)methyl]amino]-phosphonomethyl]phosphonic acid IUPAC Name: [[diphosphonomethyl-[(4-hydroxyphenyl)methyl]amino]-phosphonomethyl]phosphonic acid Traditional Name: [[diphosphonomethyl-(4-hydroxybenzyl)amino]-phosphono-methyl]phosphonic acid Formula: C9H17NO13P4 MolecularWeight: 471.125224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O)O

Isomeric SMILES

C1=CC(=CC=C1CN(C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O)O

InChI

InChI=1S/C9H17NO13P4/c11-7-3-1-6(2-4-7)5-10(8(24(12,13)14)25(15,16)17)9(26(18,19)20)27(21,22)23/h1-4,8-9,11H,5H2,(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)(H2,21,22,23)