1-[di(heptadecan-2-yl)azaniumyl]-2-oxidanyl-propane-1-sulfonate

Systemtic Name: 1-[di(heptadecan-2-yl)azaniumyl]-2-oxidanyl-propane-1-sulfonate Openeye Name: 1-[bis(1-methylhexadecyl)ammonio]-2-hydroxy-propane-1-sulfonate CAS Name: 1-[di(heptadecan-2-yl)ammonio]-2-hydroxy-1-propanesulfonate IUPAC Name: 1-[di(heptadecan-2-yl)azaniumyl]-2-hydroxypropane-1-sulfonate Traditional Name: 1-[bis(1-methylhexadecyl)ammonio]-2-hydroxy-propane-1-sulfonate Formula: C37H77NO4S MolecularWeight: 632.07658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C)[NH+](C(C)CCCCCCCCCCCCCCC)C(C(C)O)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(C)[NH+](C(C)CCCCCCCCCCCCCCC)C(C(C)O)S(=O)(=O)[O-]

InChI

InChI=1S/C37H77NO4S/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34(3)38(37(36(5)39)43(40,41)42)35(4)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h34-37,39H,6-33H2,1-5H3,(H,40,41,42)