sodium 4-(4-butan-2-ylphenoxy)butane-1-sulfonate

Systemtic Name: sodium 4-(4-butan-2-ylphenoxy)butane-1-sulfonate Openeye Name: sodium 4-(4-sec-butylphenoxy)butane-1-sulfonate CAS Name: sodium 4-(4-butan-2-ylphenoxy)-1-butanesulfonate IUPAC Name: sodium 4-(4-butan-2-ylphenoxy)butane-1-sulfonate Traditional Name: sodium 4-(4-sec-butylphenoxy)butane-1-sulfonate Formula: C14H21NaO4S MolecularWeight: 308.36891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OCCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)OCCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H22O4S.Na/c1-3-12(2)13-6-8-14(9-7-13)18-10-4-5-11-19(15,16)17;/h6-9,12H,3-5,10-11H2,1-2H3,(H,15,16,17);/q;+1/p-1