sodium (3-hexadecylphenyl)phosphanyl benzenesulfonate

Systemtic Name: sodium (3-hexadecylphenyl)phosphanyl benzenesulfonate Openeye Name: sodium (3-hexadecylphenyl)phosphanyl benzenesulfonate CAS Name: sodium benzenesulfonic acid (3-hexadecylphenyl)phosphino ester IUPAC Name: sodium (3-hexadecylphenyl)phosphanyl benzenesulfonate Traditional Name: sodium benzenesulfonic acid (3-cetylphenyl)phosphino ester Formula: C28H43NaO3PS+ MolecularWeight: 513.667751

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC(=CC=C1)POS(=O)(=O)C2=CC=CC=C2.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC(=CC=C1)POS(=O)(=O)C2=CC=CC=C2.[Na+]

InChI

InChI=1S/C28H43O3PS.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-26-21-19-22-27(25-26)32-31-33(29,30)28-23-17-15-18-24-28;/h15,17-19,21-25,32H,2-14,16,20H2,1H3;/q;+1