disodium 2-dodecyl-6-(3-dodecyl-2-sulfonato-phenoxy)benzenesulfonate

Systemtic Name: disodium 2-dodecyl-6-(3-dodecyl-2-sulfonato-phenoxy)benzenesulfonate Openeye Name: disodium 2-dodecyl-6-(3-dodecyl-2-sulfonato-phenoxy)benzenesulfonate CAS Name: disodium 2-dodecyl-6-(3-dodecyl-2-sulfonatophenoxy)benzenesulfonate IUPAC Name: disodium 2-dodecyl-6-(3-dodecyl-2-sulfonatophenoxy)benzenesulfonate Traditional Name: disodium 2-lauryl-6-(3-lauryl-2-sulfonato-phenoxy)besylate Formula: C36H56Na2O7S2 MolecularWeight: 710.93518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=CC=C1)OC2=CC=CC(=C2S(=O)(=O)[O-])CCCCCCCCCCCC)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=CC=C1)OC2=CC=CC(=C2S(=O)(=O)[O-])CCCCCCCCCCCC)S(=O)(=O)[O-].[Na+].[Na+]

InChI

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