10-octoxycarbonyl-10-octyl-9-sulfooxycarbonyl-octadecane-9-sulfonic acid

Systemtic Name: 10-octoxycarbonyl-10-octyl-9-sulfooxycarbonyl-octadecane-9-sulfonic acid Openeye Name: 10-octoxycarbonyl-10-octyl-9-sulfooxycarbonyl-octadecane-9-sulfonic acid CAS Name: 10-[octoxy(oxo)methyl]-10-octyl-9-[oxo(sulfooxy)methyl]-9-octadecanesulfonic acid IUPAC Name: 10-octoxycarbonyl-10-octyl-9-sulfooxycarbonyloctadecane-9-sulfonic acid Traditional Name: 10-octoxycarbonyl-10-octyl-9-sulfoxycarbonyl-octadecane-9-sulfonic acid Formula: C36H70O10S2 MolecularWeight: 727.065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCC)(C(=O)OCCCCCCCC)C(CCCCCCCC)(C(=O)OS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCC(CCCCCCCC)(C(=O)OCCCCCCCC)C(CCCCCCCC)(C(=O)OS(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C36H70O10S2/c1-5-9-13-17-21-25-29-35(30-26-22-18-14-10-6-2,33(37)45-32-28-24-20-16-12-8-4)36(47(39,40)41,34(38)46-48(42,43)44)31-27-23-19-15-11-7-3/h5-32H2,1-4H3,(H,39,40,41)(H,42,43,44)