(2-dodecylphenyl)-dimethyl-(1-oxidanyl-3-sulfo-propyl)azanium

Systemtic Name: (2-dodecylphenyl)-dimethyl-(1-oxidanyl-3-sulfo-propyl)azanium Openeye Name: (2-dodecylphenyl)-(1-hydroxy-3-sulfo-propyl)-dimethyl-ammonium CAS Name: (2-dodecylphenyl)-(1-hydroxy-3-sulfopropyl)-dimethylammonium IUPAC Name: (2-dodecylphenyl)-(1-hydroxy-3-sulfopropyl)-dimethylazanium Traditional Name: (1-hydroxy-3-sulfo-propyl)-(2-laurylphenyl)-dimethyl-ammonium Formula: C23H42NO4S+ MolecularWeight: 428.64888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1[N+](C)(C)C(CCS(=O)(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1[N+](C)(C)C(CCS(=O)(=O)O)O

InChI

InChI=1S/C23H41NO4S/c1-4-5-6-7-8-9-10-11-12-13-16-21-17-14-15-18-22(21)24(2,3)23(25)19-20-29(26,27)28/h14-15,17-18,23,25H,4-13,16,19-20H2,1-3H3/p+1