(2-dodecylphenyl)methyl-dimethyl-(2-oxidanyl-3-sulfo-propyl)azanium

Systemtic Name: (2-dodecylphenyl)methyl-dimethyl-(2-oxidanyl-3-sulfo-propyl)azanium Openeye Name: (2-dodecylphenyl)methyl-(2-hydroxy-3-sulfo-propyl)-dimethyl-ammonium CAS Name: (2-dodecylphenyl)methyl-(2-hydroxy-3-sulfopropyl)-dimethylammonium IUPAC Name: (2-dodecylphenyl)methyl-(2-hydroxy-3-sulfopropyl)-dimethylazanium Traditional Name: (2-hydroxy-3-sulfo-propyl)-(2-laurylbenzyl)-dimethyl-ammonium Formula: C24H44NO4S+ MolecularWeight: 442.67546

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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/p+1