sodium (3-butylcyclohexyl)phosphanyl benzenesulfonate

Systemtic Name: sodium (3-butylcyclohexyl)phosphanyl benzenesulfonate Openeye Name: sodium (3-butylcyclohexyl)phosphanyl benzenesulfonate CAS Name: sodium benzenesulfonic acid (3-butylcyclohexyl)phosphino ester IUPAC Name: sodium (3-butylcyclohexyl)phosphanyl benzenesulfonate Traditional Name: sodium benzenesulfonic acid (3-butylcyclohexyl)phosphino ester Formula: C16H25NaO3PS+ MolecularWeight: 351.396431

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCCC(C1)POS(=O)(=O)C2=CC=CC=C2.[Na+]

Isomeric SMILES

CCCCC1CCCC(C1)POS(=O)(=O)C2=CC=CC=C2.[Na+]

InChI

InChI=1S/C16H25O3PS.Na/c1-2-3-8-14-9-7-10-15(13-14)20-19-21(17,18)16-11-5-4-6-12-16;/h4-6,11-12,14-15,20H,2-3,7-10,13H2,1H3;/q;+1