3-[hexadecyl-bis(3-oxidanylpropyl)azaniumyl]-2-oxidanyl-pentane-1-sulfonate

Systemtic Name: 3-[hexadecyl-bis(3-oxidanylpropyl)azaniumyl]-2-oxidanyl-pentane-1-sulfonate Openeye Name: 3-[hexadecyl-bis(3-hydroxypropyl)ammonio]-2-hydroxy-pentane-1-sulfonate CAS Name: 3-[hexadecyl-bis(3-hydroxypropyl)ammonio]-2-hydroxy-1-pentanesulfonate IUPAC Name: 3-[hexadecyl-bis(3-hydroxypropyl)azaniumyl]-2-hydroxypentane-1-sulfonate Traditional Name: 3-[cetyl-bis(3-hydroxypropyl)ammonio]-2-hydroxy-pentane-1-sulfonate Formula: C27H57NO6S MolecularWeight: 523.80958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](CCCO)(CCCO)C(CC)C(CS(=O)(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](CCCO)(CCCO)C(CC)C(CS(=O)(=O)[O-])O

InChI

InChI=1S/C27H57NO6S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28(21-18-23-29,22-19-24-30)26(4-2)27(31)25-35(32,33)34/h26-27,29-31H,3-25H2,1-2H3