4-[4-(2-methylnonadecan-2-ylazaniumyl)butoxy]butane-1-sulfonate

Systemtic Name: 4-[4-(2-methylnonadecan-2-ylazaniumyl)butoxy]butane-1-sulfonate Openeye Name: 4-[4-(1,1-dimethyloctadecylammonio)butoxy]butane-1-sulfonate CAS Name: 4-[4-(2-methylnonadecan-2-ylammonio)butoxy]-1-butanesulfonate IUPAC Name: 4-[4-(2-methylnonadecan-2-ylazaniumyl)butoxy]butane-1-sulfonate Traditional Name: 4-[4-(1,1-dimethyloctadecylammonio)butoxy]butane-1-sulfonate Formula: C28H59NO4S MolecularWeight: 505.83736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C)(C)[NH2+]CCCCOCCCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C)(C)[NH2+]CCCCOCCCCS(=O)(=O)[O-]

InChI

InChI=1S/C28H59NO4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-28(2,3)29-24-19-20-25-33-26-21-22-27-34(30,31)32/h29H,4-27H2,1-3H3,(H,30,31,32)