3-[(2-dodecylphenyl)methyl-dimethyl-azaniumyl]-2-oxidanyl-propane-1-sulfonate

Systemtic Name: 3-[(2-dodecylphenyl)methyl-dimethyl-azaniumyl]-2-oxidanyl-propane-1-sulfonate Openeye Name: 3-[(2-dodecylphenyl)methyl-dimethyl-ammonio]-2-hydroxy-propane-1-sulfonate CAS Name: 3-[(2-dodecylphenyl)methyl-dimethylammonio]-2-hydroxy-1-propanesulfonate IUPAC Name: 3-[(2-dodecylphenyl)methyl-dimethylazaniumyl]-2-hydroxypropane-1-sulfonate Traditional Name: 2-hydroxy-3-[(2-laurylbenzyl)-dimethyl-ammonio]propane-1-sulfonate Formula: C24H43NO4S MolecularWeight: 441.66752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C[N+](C)(C)CC(CS(=O)(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C[N+](C)(C)CC(CS(=O)(=O)[O-])O

InChI

InChI=1S/C24H43NO4S/c1-4-5-6-7-8-9-10-11-12-13-16-22-17-14-15-18-23(22)19-25(2,3)20-24(26)21-30(27,28)29/h14-15,17-18,24,26H,4-13,16,19-21H2,1-3H3