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

Systemtic Name: sodium [(2E)-2-(2-azanyl-3-oxidanyl-3-oxidanylidene-propylidene)-8-[(4-azido-3-iodanyl-2-oxidanyl-phenyl)carbonylamino]octyl]-oxidanyl-phosphinate Openeye Name: sodium [(2E)-2-(2-amino-3-hydroxy-3-oxo-propylidene)-8-[(4-azido-2-hydroxy-3-iodo-benzoyl)amino]octyl]-hydroxy-phosphinate CAS Name: sodium [(2E)-2-(2-amino-3-hydroxy-3-oxopropylidene)-8-[[(4-azido-2-hydroxy-3-iodophenyl)-oxomethyl]amino]octyl]-hydroxyphosphinate IUPAC Name: sodium [(2E)-2-(2-amino-3-hydroxy-3-oxopropylidene)-8-[(4-azido-2-hydroxy-3-iodobenzoyl)amino]octyl]-hydroxyphosphinate Traditional Name: sodium [(E)-4-amino-2-[6-[(4-azido-2-hydroxy-3-iodo-benzoyl)amino]hexyl]-5-hydroxy-5-keto-pent-2-enyl]-hydroxy-phosphinate Formula: C18H24IN5NaO7P MolecularWeight: 603.280461

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1C(=O)NCCCCCCC(=CC(C(=O)O)N)CP(=O)(O)[O-])O)I)N=[N+]=[N-].[Na+]

Isomeric SMILES

C1=CC(=C(C(=C1C(=O)NCCCCCC/C(=C\C(C(=O)O)N)/CP(=O)(O)[O-])O)I)N=[N+]=[N-].[Na+]

InChI

InChI=1S/C18H25IN5O7P.Na/c19-15-14(23-24-21)7-6-12(16(15)25)17(26)22-8-4-2-1-3-5-11(10-32(29,30)31)9-13(20)18(27)28;/h6-7,9,13,25H,1-5,8,10,20H2,(H,22,26)(H,27,28)(H2,29,30,31);/q;+1/p-1/b11-9+;