2-(dodecanoyl-hexadecanoyl-methyl-azaniumyl)ethanesulfonate

Systemtic Name: 2-(dodecanoyl-hexadecanoyl-methyl-azaniumyl)ethanesulfonate Openeye Name: 2-(dodecanoyl-hexadecanoyl-methyl-ammonio)ethanesulfonate CAS Name: 2-[methyl-(1-oxododecyl)-(1-oxohexadecyl)ammonio]ethanesulfonate IUPAC Name: 2-(dodecanoyl-hexadecanoyl-methylazaniumyl)ethanesulfonate Traditional Name: 2-(hexadecanoyl-lauroyl-methyl-ammonio)ethanesulfonate Formula: C31H61NO5S MolecularWeight: 559.88474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)[N+](C)(CCS(=O)(=O)[O-])C(=O)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)[N+](C)(CCS(=O)(=O)[O-])C(=O)CCCCCCCCCCC

InChI

InChI=1S/C31H61NO5S/c1-4-6-8-10-12-14-15-16-17-19-21-23-25-27-31(34)32(3,28-29-38(35,36)37)30(33)26-24-22-20-18-13-11-9-7-5-2/h4-29H2,1-3H3