disodium 3-decyl-4-(2-decyl-4-sulfonato-phenoxy)benzenesulfonate

Systemtic Name: disodium 3-decyl-4-(2-decyl-4-sulfonato-phenoxy)benzenesulfonate Openeye Name: disodium 3-decyl-4-(2-decyl-4-sulfonato-phenoxy)benzenesulfonate CAS Name: disodium 3-decyl-4-(2-decyl-4-sulfonatophenoxy)benzenesulfonate IUPAC Name: disodium 3-decyl-4-(2-decyl-4-sulfonatophenoxy)benzenesulfonate Traditional Name: disodium 3-decyl-4-(2-decyl-4-sulfonato-phenoxy)besylate Formula: C32H48Na2O7S2 MolecularWeight: 654.82886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(C=CC(=C1)S(=O)(=O)[O-])OC2=C(C=C(C=C2)S(=O)(=O)[O-])CCCCCCCCCC.[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCC1=C(C=CC(=C1)S(=O)(=O)[O-])OC2=C(C=C(C=C2)S(=O)(=O)[O-])CCCCCCCCCC.[Na+].[Na+]

InChI

InChI=1S/C32H50O7S2.2Na/c1-3-5-7-9-11-13-15-17-19-27-25-29(40(33,34)35)21-23-31(27)39-32-24-22-30(41(36,37)38)26-28(32)20-18-16-14-12-10-8-6-4-2;;/h21-26H,3-20H2,1-2H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2