sodium [(2E)-2-(2-azanyl-3-oxidanyl-3-oxidanylidene-propylidene)-8-[(4-azido-2-oxidanyl-phenyl)carbonylamino]octyl]-oxidanyl-phosphinate

Systemtic Name: sodium [(2E)-2-(2-azanyl-3-oxidanyl-3-oxidanylidene-propylidene)-8-[(4-azido-2-oxidanyl-phenyl)carbonylamino]octyl]-oxidanyl-phosphinate Openeye Name: sodium [(2E)-2-(2-amino-3-hydroxy-3-oxo-propylidene)-8-[(4-azido-2-hydroxy-benzoyl)amino]octyl]-hydroxy-phosphinate CAS Name: sodium [(2E)-2-(2-amino-3-hydroxy-3-oxopropylidene)-8-[[(4-azido-2-hydroxyphenyl)-oxomethyl]amino]octyl]-hydroxyphosphinate IUPAC Name: sodium [(2E)-2-(2-amino-3-hydroxy-3-oxopropylidene)-8-[(4-azido-2-hydroxybenzoyl)amino]octyl]-hydroxyphosphinate Traditional Name: sodium [(E)-4-amino-2-[6-[(4-azido-2-hydroxy-benzoyl)amino]hexyl]-5-hydroxy-5-keto-pent-2-enyl]-hydroxy-phosphinate Formula: C18H25N5NaO7P MolecularWeight: 477.383931

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N=[N+]=[N-])O)C(=O)NCCCCCCC(=CC(C(=O)O)N)CP(=O)(O)[O-].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1N=[N+]=[N-])O)C(=O)NCCCCCC/C(=C\C(C(=O)O)N)/CP(=O)(O)[O-].[Na+]

InChI

InChI=1S/C18H26N5O7P.Na/c19-15(18(26)27)9-12(11-31(28,29)30)5-3-1-2-4-8-21-17(25)14-7-6-13(22-23-20)10-16(14)24;/h6-7,9-10,15,24H,1-5,8,11,19H2,(H,21,25)(H,26,27)(H2,28,29,30);/q;+1/p-1/b12-9+;