sulfo 3,4-didodecyl-2-phenoxy-benzenesulfonate

Systemtic Name: sulfo 3,4-didodecyl-2-phenoxy-benzenesulfonate Openeye Name: sulfo 3,4-didodecyl-2-phenoxy-benzenesulfonate CAS Name: 3,4-didodecyl-2-phenoxybenzenesulfonic acid sulfo ester IUPAC Name: sulfo 3,4-didodecyl-2-phenoxybenzenesulfonate Traditional Name: 3,4-dilauryl-2-phenoxy-benzenesulfonic acid sulfo ester Formula: C36H58O7S2 MolecularWeight: 666.97152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)OS(=O)(=O)O)OC2=CC=CC=C2)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)OS(=O)(=O)O)OC2=CC=CC=C2)CCCCCCCCCCCC

InChI

InChI=1S/C36H58O7S2/c1-3-5-7-9-11-13-15-17-19-22-26-32-30-31-35(44(37,38)43-45(39,40)41)36(42-33-27-23-21-24-28-33)34(32)29-25-20-18-16-14-12-10-8-6-4-2/h21,23-24,27-28,30-31H,3-20,22,25-26,29H2,1-2H3,(H,39,40,41)