2-heptadecylbenzenesulfonate; 2-hydroxyethylazanium

Systemtic Name: 2-heptadecylbenzenesulfonate; 2-hydroxyethylazanium Openeye Name: 2-heptadecylbenzenesulfonate; 2-hydroxyethylammonium CAS Name: 2-heptadecylbenzenesulfonate; 2-hydroxyethylammonium IUPAC Name: 2-heptadecylbenzenesulfonate; 2-hydroxyethylazanium Traditional Name: 2-heptadecylbesylate; 2-hydroxyethylammonium Formula: C25H47NO4S MolecularWeight: 457.70998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].C(CO)[NH3+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].C(CO)[NH3+]

InChI

InChI=1S/C23H40O3S.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-20-17-18-21-23(22)27(24,25)26;3-1-2-4/h17-18,20-21H,2-16,19H2,1H3,(H,24,25,26);4H,1-3H2