hexadecyl-bis(3-oxidanylpropyl)-(2-oxidanyl-1-sulfo-pentan-3-yl)azanium

Systemtic Name: hexadecyl-bis(3-oxidanylpropyl)-(2-oxidanyl-1-sulfo-pentan-3-yl)azanium Openeye Name: (1-ethyl-2-hydroxy-3-sulfo-propyl)-hexadecyl-bis(3-hydroxypropyl)ammonium CAS Name: hexadecyl-bis(3-hydroxypropyl)-(2-hydroxy-1-sulfopentan-3-yl)ammonium IUPAC Name: hexadecyl-bis(3-hydroxypropyl)-(2-hydroxy-1-sulfopentan-3-yl)azanium Traditional Name: cetyl-(1-ethyl-2-hydroxy-3-sulfo-propyl)-bis(3-hydroxypropyl)ammonium Formula: C27H58NO6S+ MolecularWeight: 524.81752

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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/p+1