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

Systemtic Name: disodium 2-decyl-4-(3-decyl-4-sulfonato-phenoxy)benzenesulfonate Openeye Name: disodium 2-decyl-4-(3-decyl-4-sulfonato-phenoxy)benzenesulfonate CAS Name: disodium 2-decyl-4-(3-decyl-4-sulfonatophenoxy)benzenesulfonate IUPAC Name: disodium 2-decyl-4-(3-decyl-4-sulfonatophenoxy)benzenesulfonate Traditional Name: disodium 2-decyl-4-(3-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)OC2=CC(=C(C=C2)S(=O)(=O)[O-])CCCCCCCCCC)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C32H50O7S2.2Na/c1-3-5-7-9-11-13-15-17-19-27-25-29(21-23-31(27)40(33,34)35)39-30-22-24-32(41(36,37)38)28(26-30)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