sodium 4-(4-methylphenoxy)butane-1-sulfonate

Systemtic Name: sodium 4-(4-methylphenoxy)butane-1-sulfonate Openeye Name: sodium 4-(4-methylphenoxy)butane-1-sulfonate CAS Name: sodium 4-(4-methylphenoxy)-1-butanesulfonate IUPAC Name: sodium 4-(4-methylphenoxy)butane-1-sulfonate Traditional Name: sodium 4-(4-methylphenoxy)butane-1-sulfonate Formula: C11H15NaO4S MolecularWeight: 266.28917

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)OCCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C11H16O4S.Na/c1-10-4-6-11(7-5-10)15-8-2-3-9-16(12,13)14;/h4-7H,2-3,8-9H2,1H3,(H,12,13,14);/q;+1/p-1