[4-nitro-2-(octadecanoylamino)phenyl] 2-(trimethylazaniumyl)ethyl phosphate hydroxide

Systemtic Name: [4-nitro-2-(octadecanoylamino)phenyl] 2-(trimethylazaniumyl)ethyl phosphate hydroxide Openeye Name: [4-nitro-2-(octadecanoylamino)phenyl] 2-(trimethylammonio)ethyl phosphate hydroxide CAS Name: [4-nitro-2-(1-oxooctadecylamino)phenyl] 2-(trimethylammonio)ethyl phosphate hydroxide IUPAC Name: [4-nitro-2-(octadecanoylamino)phenyl] 2-(trimethylazaniumyl)ethyl phosphate hydroxide Traditional Name: (4-nitro-2-stearamido-phenyl) 2-(trimethylammonio)ethyl phosphate hydroxide Formula: C29H53N3O8P- MolecularWeight: 602.720181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OP(=O)([O-])OCC[N+](C)(C)C.[OH-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OP(=O)([O-])OCC[N+](C)(C)C.[OH-]

InChI

InChI=1S/C29H52N3O7P.H2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29(33)30-27-25-26(31(34)35)21-22-28(27)39-40(36,37)38-24-23-32(2,3)4;/h21-22,25H,5-20,23-24H2,1-4H3,(H-,30,33,36,37);1H2/p-1