[[(4-hexylphenyl)amino]-phosphono-methyl]phosphonic acid; sodium

Systemtic Name: [[(4-hexylphenyl)amino]-phosphono-methyl]phosphonic acid; sodium Openeye Name: [(4-hexylanilino)-phosphono-methyl]phosphonic acid; sodium CAS Name: [(4-hexylanilino)-phosphonomethyl]phosphonic acid; sodium IUPAC Name: [(4-hexylanilino)-phosphonomethyl]phosphonic acid; sodium Traditional Name: [(4-hexylanilino)-phosphono-methyl]phosphonic acid; sodium Formula: C13H23NNaO6P2 MolecularWeight: 374.262112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)NC(P(=O)(O)O)P(=O)(O)O.[Na]

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)NC(P(=O)(O)O)P(=O)(O)O.[Na]

InChI

InChI=1S/C13H23NO6P2.Na/c1-2-3-4-5-6-11-7-9-12(10-8-11)14-13(21(15,16)17)22(18,19)20;/h7-10,13-14H,2-6H2,1H3,(H2,15,16,17)(H2,18,19,20);