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

Systemtic Name: 3-[(2-dodecylphenyl)methyl-dimethyl-azaniumyl]propane-1-sulfonate Openeye Name: 3-[(2-dodecylphenyl)methyl-dimethyl-ammonio]propane-1-sulfonate CAS Name: 3-[(2-dodecylphenyl)methyl-dimethylammonio]-1-propanesulfonate IUPAC Name: 3-[(2-dodecylphenyl)methyl-dimethylazaniumyl]propane-1-sulfonate Traditional Name: 3-[(2-laurylbenzyl)-dimethyl-ammonio]propane-1-sulfonate Formula: C24H43NO3S MolecularWeight: 425.66812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H43NO3S/c1-4-5-6-7-8-9-10-11-12-13-17-23-18-14-15-19-24(23)22-25(2,3)20-16-21-29(26,27)28/h14-15,18-19H,4-13,16-17,20-22H2,1-3H3