[[(4-heptylphenyl)amino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[(4-heptylphenyl)amino]-phosphono-methyl]phosphonic acid Openeye Name: [(4-heptylanilino)-phosphono-methyl]phosphonic acid CAS Name: [(4-heptylanilino)-phosphonomethyl]phosphonic acid IUPAC Name: [(4-heptylanilino)-phosphonomethyl]phosphonic acid Traditional Name: [(4-heptylanilino)-phosphono-methyl]phosphonic acid Formula: C14H25NO6P2 MolecularWeight: 365.298922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)NC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)NC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C14H25NO6P2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)15-14(22(16,17)18)23(19,20)21/h8-11,14-15H,2-7H2,1H3,(H2,16,17,18)(H2,19,20,21)