sodium [(2E)-2-(2-azanyl-3-oxidanyl-3-oxidanylidene-propylidene)-8-benzamido-octyl]-oxidanyl-phosphinate

Systemtic Name: sodium [(2E)-2-(2-azanyl-3-oxidanyl-3-oxidanylidene-propylidene)-8-benzamido-octyl]-oxidanyl-phosphinate Openeye Name: sodium [(2E)-2-(2-amino-3-hydroxy-3-oxo-propylidene)-8-benzamido-octyl]-hydroxy-phosphinate CAS Name: sodium [(2E)-2-(2-amino-3-hydroxy-3-oxopropylidene)-8-benzamidooctyl]-hydroxyphosphinate IUPAC Name: sodium [(2E)-2-(2-amino-3-hydroxy-3-oxopropylidene)-8-benzamidooctyl]-hydroxyphosphinate Traditional Name: sodium [(E)-4-amino-2-(6-benzamidohexyl)-5-hydroxy-5-keto-pent-2-enyl]-hydroxy-phosphinate Formula: C18H26N2NaO6P MolecularWeight: 420.372371

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCCCCCCC(=CC(C(=O)O)N)CP(=O)(O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCCCCCC/C(=C\C(C(=O)O)N)/CP(=O)(O)[O-].[Na+]

InChI

InChI=1S/C18H27N2O6P.Na/c19-16(18(22)23)12-14(13-27(24,25)26)8-4-1-2-7-11-20-17(21)15-9-5-3-6-10-15;/h3,5-6,9-10,12,16H,1-2,4,7-8,11,13,19H2,(H,20,21)(H,22,23)(H2,24,25,26);/q;+1/p-1/b14-12+;