[16,18-bis(oxidanylidene)-17-[(trimethylazaniumyl)methyl]tritriacontan-17-yl] hydrogen phosphate

Systemtic Name: [16,18-bis(oxidanylidene)-17-[(trimethylazaniumyl)methyl]tritriacontan-17-yl] hydrogen phosphate Openeye Name: [1-hexadecanoyl-2-oxo-1-[(trimethylammonio)methyl]heptadecyl] hydrogen phosphate CAS Name: [16,18-dioxo-17-[(trimethylammonio)methyl]tritriacontan-17-yl] hydrogen phosphate IUPAC Name: [16,18-dioxo-17-[(trimethylazaniumyl)methyl]tritriacontan-17-yl] hydrogen phosphate Traditional Name: [1-hexadecanoyl-2-keto-1-[(trimethylammonio)methyl]heptadecyl] hydrogen phosphate Formula: C37H74NO6P MolecularWeight: 659.960321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(C[N+](C)(C)C)(C(=O)CCCCCCCCCCCCCCC)OP(=O)(O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(C[N+](C)(C)C)(C(=O)CCCCCCCCCCCCCCC)OP(=O)(O)[O-]

InChI

InChI=1S/C37H74NO6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35(39)37(34-38(3,4)5,44-45(41,42)43)36(40)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h6-34H2,1-5H3,(H-,41,42,43)