16-oxidanyl-3-(12-oxidanyldodecyl)-2-(trimethylazaniumyl)hexadecanoate

Systemtic Name: 16-oxidanyl-3-(12-oxidanyldodecyl)-2-(trimethylazaniumyl)hexadecanoate Openeye Name: 16-hydroxy-3-(12-hydroxydodecyl)-2-(trimethylammonio)hexadecanoate CAS Name: 16-hydroxy-3-(12-hydroxydodecyl)-2-(trimethylammonio)hexadecanoate IUPAC Name: 16-hydroxy-3-(12-hydroxydodecyl)-2-(trimethylazaniumyl)hexadecanoate Traditional Name: 16-hydroxy-3-(12-hydroxydodecyl)-2-(trimethylammonio)palmitate Formula: C31H63NO4 MolecularWeight: 513.83622

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(C(CCCCCCCCCCCCCO)CCCCCCCCCCCCO)C(=O)[O-]

Isomeric SMILES

C[N+](C)(C)C(C(CCCCCCCCCCCCCO)CCCCCCCCCCCCO)C(=O)[O-]

InChI

InChI=1S/C31H63NO4/c1-32(2,3)30(31(35)36)29(26-22-18-14-10-6-8-12-16-20-24-28-34)25-21-17-13-9-5-4-7-11-15-19-23-27-33/h29-30,33-34H,4-28H2,1-3H3