sodium (4-nonylphenyl) 1-(4-nonylphenoxy)butane-1-sulfonate

Systemtic Name: sodium (4-nonylphenyl) 1-(4-nonylphenoxy)butane-1-sulfonate Openeye Name: sodium (4-nonylphenyl) 1-(4-nonylphenoxy)butane-1-sulfonate CAS Name: sodium 1-(4-nonylphenoxy)-1-butanesulfonic acid IUPAC Name: sodium (4-nonylphenyl) 1-(4-nonylphenoxy)butane-1-sulfonate Traditional Name: sodium 1-(4-nonylphenoxy)butane-1-sulfonic acid (4-nonylphenyl) ester Formula: C34H54NaO4S+ MolecularWeight: 581.84493

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)OC(CCC)S(=O)(=O)OC2=CC=C(C=C2)CCCCCCCCC.[Na+]

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)OC(CCC)S(=O)(=O)OC2=CC=C(C=C2)CCCCCCCCC.[Na+]

InChI

InChI=1S/C34H54O4S.Na/c1-4-7-9-11-13-15-17-20-30-22-26-32(27-23-30)37-34(19-6-3)39(35,36)38-33-28-24-31(25-29-33)21-18-16-14-12-10-8-5-2;/h22-29,34H,4-21H2,1-3H3;/q;+1