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

Systemtic Name: sodium 4-(4-pentan-2-ylphenoxy)butane-1-sulfonate Openeye Name: sodium 4-[4-(1-methylbutyl)phenoxy]butane-1-sulfonate CAS Name: sodium 4-(4-pentan-2-ylphenoxy)-1-butanesulfonate IUPAC Name: sodium 4-(4-pentan-2-ylphenoxy)butane-1-sulfonate Traditional Name: sodium 4-[4-(1-methylbutyl)phenoxy]butane-1-sulfonate Formula: C15H23NaO4S MolecularWeight: 322.39549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24O4S.Na/c1-3-6-13(2)14-7-9-15(10-8-14)19-11-4-5-12-20(16,17)18;/h7-10,13H,3-6,11-12H2,1-2H3,(H,16,17,18);/q;+1/p-1