sodium 3-(2,3-didodecylphenoxy)benzene-1,2-disulfonate

Systemtic Name: sodium 3-(2,3-didodecylphenoxy)benzene-1,2-disulfonate Openeye Name: sodium 3-(2,3-didodecylphenoxy)benzene-1,2-disulfonate CAS Name: sodium 3-(2,3-didodecylphenoxy)benzene-1,2-disulfonate IUPAC Name: sodium 3-(2,3-didodecylphenoxy)benzene-1,2-disulfonate Traditional Name: sodium 3-(2,3-dilaurylphenoxy)benzene-1,2-disulfonate Formula: C36H56NaO7S2- MolecularWeight: 687.94541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=CC=C1)OC2=C(C(=CC=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])CCCCCCCCCCCC.[Na+]

Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=CC=C1)OC2=C(C(=CC=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])CCCCCCCCCCCC.[Na+]

InChI

InChI=1S/C36H58O7S2.Na/c1-3-5-7-9-11-13-15-17-19-21-25-31-26-23-28-33(32(31)27-22-20-18-16-14-12-10-8-6-4-2)43-34-29-24-30-35(44(37,38)39)36(34)45(40,41)42;/h23-24,26,28-30H,3-22,25,27H2,1-2H3,(H,37,38,39)(H,40,41,42);/q;+1/p-2