[6,10-dimethyl-2-(4-methylpentyl)-12-sulfooxy-dodecyl] hydrogen sulfate

Systemtic Name: [6,10-dimethyl-2-(4-methylpentyl)-12-sulfooxy-dodecyl] hydrogen sulfate Openeye Name: (2-isohexyl-6,10-dimethyl-12-sulfooxy-dodecyl) hydrogen sulfate CAS Name: sulfuric acid [6,10-dimethyl-2-(4-methylpentyl)-12-sulfooxydodecyl] ester IUPAC Name: [6,10-dimethyl-2-(4-methylpentyl)-12-sulfooxydodecyl] hydrogen sulfate Traditional Name: sulfuric acid (2-isohexyl-6,10-dimethyl-12-sulfoxy-dodecyl) ester Formula: C20H42O8S2 MolecularWeight: 474.67268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(CCCC(C)CCCC(C)CCOS(=O)(=O)O)COS(=O)(=O)O

Isomeric SMILES

CC(C)CCCC(CCCC(C)CCCC(C)CCOS(=O)(=O)O)COS(=O)(=O)O

InChI

InChI=1S/C20H42O8S2/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)