[[(4-dodecylphenyl)methylamino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[(4-dodecylphenyl)methylamino]-phosphono-methyl]phosphonic acid Openeye Name: [[(4-dodecylphenyl)methylamino]-phosphono-methyl]phosphonic acid CAS Name: [[(4-dodecylphenyl)methylamino]-phosphonomethyl]phosphonic acid IUPAC Name: [[(4-dodecylphenyl)methylamino]-phosphonomethyl]phosphonic acid Traditional Name: [[(4-laurylbenzyl)amino]-phosphono-methyl]phosphonic acid Formula: C20H37NO6P2 MolecularWeight: 449.458402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)CNC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)CNC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C20H37NO6P2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15-19(16-14-18)17-21-20(28(22,23)24)29(25,26)27/h13-16,20-21H,2-12,17H2,1H3,(H2,22,23,24)(H2,25,26,27)