[1,16-bis(oxidanyl)-3-(12-oxidanyldodecyl)-1-oxidanylidene-hexadecan-2-yl]-trimethyl-azanium

Systemtic Name: [1,16-bis(oxidanyl)-3-(12-oxidanyldodecyl)-1-oxidanylidene-hexadecan-2-yl]-trimethyl-azanium Openeye Name: [1-carboxy-15-hydroxy-2-(12-hydroxydodecyl)pentadecyl]-trimethyl-ammonium CAS Name: [1,16-dihydroxy-3-(12-hydroxydodecyl)-1-oxohexadecan-2-yl]-trimethylammonium IUPAC Name: [1,16-dihydroxy-3-(12-hydroxydodecyl)-1-oxohexadecan-2-yl]-trimethylazanium Traditional Name: [1-carboxy-15-hydroxy-2-(12-hydroxydodecyl)pentadecyl]-trimethyl-ammonium Formula: C31H64NO4+ MolecularWeight: 514.84416

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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/p+1