disodium 2-decyl-3-(2-decyl-3-sulfonato-phenoxy)benzenesulfonate

Systemtic Name: disodium 2-decyl-3-(2-decyl-3-sulfonato-phenoxy)benzenesulfonate Openeye Name: disodium 2-decyl-3-(2-decyl-3-sulfonato-phenoxy)benzenesulfonate CAS Name: disodium 2-decyl-3-(2-decyl-3-sulfonatophenoxy)benzenesulfonate IUPAC Name: disodium 2-decyl-3-(2-decyl-3-sulfonatophenoxy)benzenesulfonate Traditional Name: disodium 2-decyl-3-(2-decyl-3-sulfonato-phenoxy)besylate Formula: C32H48Na2O7S2 MolecularWeight: 654.82886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(C=CC=C1S(=O)(=O)[O-])OC2=C(C(=CC=C2)S(=O)(=O)[O-])CCCCCCCCCC.[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCC1=C(C=CC=C1S(=O)(=O)[O-])OC2=C(C(=CC=C2)S(=O)(=O)[O-])CCCCCCCCCC.[Na+].[Na+]

InChI

InChI=1S/C32H50O7S2.2Na/c1-3-5-7-9-11-13-15-17-21-27-29(23-19-25-31(27)40(33,34)35)39-30-24-20-26-32(41(36,37)38)28(30)22-18-16-14-12-10-8-6-4-2;;/h19-20,23-26H,3-18,21-22H2,1-2H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2