trisodium [4-[[(E)-3-(2-methoxyphenyl)but-2-enyl]-methyl-amino]-1-phosphonato-butyl]-oxidanyl-phosphinate

Systemtic Name: trisodium [4-[[(E)-3-(2-methoxyphenyl)but-2-enyl]-methyl-amino]-1-phosphonato-butyl]-oxidanyl-phosphinate Openeye Name: trisodium hydroxy-[4-[[(E)-3-(2-methoxyphenyl)but-2-enyl]-methyl-amino]-1-phosphonato-butyl]phosphinate CAS Name: trisodium hydroxy-[4-[[(E)-3-(2-methoxyphenyl)but-2-enyl]-methylamino]-1-phosphonatobutyl]phosphinate IUPAC Name: trisodium hydroxy-[4-[[(E)-3-(2-methoxyphenyl)but-2-enyl]-methylamino]-1-phosphonatobutyl]phosphinate Traditional Name: trisodium hydroxy-[4-[[(E)-3-(2-methoxyphenyl)but-2-enyl]-methyl-amino]-1-phosphonato-butyl]phosphinate Formula: C16H24NNa3O7P2 MolecularWeight: 473.281092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN(C)CCCC(P(=O)(O)[O-])P(=O)([O-])[O-])C1=CC=CC=C1OC.[Na+].[Na+].[Na+]

Isomeric SMILES

C/C(=C\CN(C)CCCC(P(=O)(O)[O-])P(=O)([O-])[O-])/C1=CC=CC=C1OC.[Na+].[Na+].[Na+]

InChI

InChI=1S/C16H27NO7P2.3Na/c1-13(14-7-4-5-8-15(14)24-3)10-12-17(2)11-6-9-16(25(18,19)20)26(21,22)23;;;/h4-5,7-8,10,16H,6,9,11-12H2,1-3H3,(H2,18,19,20)(H2,21,22,23);;;/q;3*+1/p-3/b13-10+;;;