[16-ethyl-14,17-bis(oxidanylidene)-16-phosphonooxy-triacontan-15-yl]-trimethyl-azanium

Systemtic Name: [16-ethyl-14,17-bis(oxidanylidene)-16-phosphonooxy-triacontan-15-yl]-trimethyl-azanium Openeye Name: (2-ethyl-3-oxo-2-phosphonooxy-1-tetradecanoyl-hexadecyl)-trimethyl-ammonium CAS Name: (16-ethyl-14,17-dioxo-16-phosphonooxytriacontan-15-yl)-trimethylammonium IUPAC Name: (16-ethyl-14,17-dioxo-16-phosphonooxytriacontan-15-yl)-trimethylazanium Traditional Name: (2-ethyl-3-keto-2-phosphonooxy-1-tetradecanoyl-hexadecyl)-trimethyl-ammonium Formula: C35H71NO6P+ MolecularWeight: 632.915101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)C(C(CC)(C(=O)CCCCCCCCCCCCC)OP(=O)(O)O)[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCC(=O)C(C(CC)(C(=O)CCCCCCCCCCCCC)OP(=O)(O)O)[N+](C)(C)C

InChI

InChI=1S/C35H70NO6P/c1-7-10-12-14-16-18-20-22-24-26-28-30-32(37)34(36(4,5)6)35(9-3,42-43(39,40)41)33(38)31-29-27-25-23-21-19-17-15-13-11-8-2/h34H,7-31H2,1-6H3,(H-,39,40,41)/p+1