sodium 3-(4-octylphenoxy)butane-2-sulfonate

Systemtic Name: sodium 3-(4-octylphenoxy)butane-2-sulfonate Openeye Name: sodium 3-(4-octylphenoxy)butane-2-sulfonate CAS Name: sodium 3-(4-octylphenoxy)-2-butanesulfonate IUPAC Name: sodium 3-(4-octylphenoxy)butane-2-sulfonate Traditional Name: sodium 3-(4-octylphenoxy)butane-2-sulfonate Formula: C18H29NaO4S MolecularWeight: 364.47523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OC(C)C(C)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OC(C)C(C)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H30O4S.Na/c1-4-5-6-7-8-9-10-17-11-13-18(14-12-17)22-15(2)16(3)23(19,20)21;/h11-16H,4-10H2,1-3H3,(H,19,20,21);/q;+1/p-1