disodium [6,10-dimethyl-2-(4-methylpentyl)-12-sulfonatooxy-dodecyl] sulfate

Systemtic Name: disodium [6,10-dimethyl-2-(4-methylpentyl)-12-sulfonatooxy-dodecyl] sulfate Openeye Name: disodium (2-isohexyl-6,10-dimethyl-12-sulfonatooxy-dodecyl) sulfate CAS Name: disodium [6,10-dimethyl-2-(4-methylpentyl)-12-sulfonatooxydodecyl] sulfate IUPAC Name: disodium [6,10-dimethyl-2-(4-methylpentyl)-12-sulfonatooxydodecyl] sulfate Traditional Name: disodium (2-isohexyl-6,10-dimethyl-12-sulfato-dodecyl) sulfate Formula: C20H40Na2O8S2 MolecularWeight: 518.63634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(CCCC(C)CCCC(C)CCOS(=O)(=O)[O-])COS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(C)CCCC(CCCC(C)CCCC(C)CCOS(=O)(=O)[O-])COS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H42O8S2.2Na/c1-17(2)8-5-12-20(16-28-30(24,25)26)13-7-11-18(3)9-6-10-19(4)14-15-27-29(21,22)23;;/h17-20H,5-16H2,1-4H3,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2