9,10-bis(octoxycarbonyl)octadecane-9-sulfonic acid

Systemtic Name: 9,10-bis(octoxycarbonyl)octadecane-9-sulfonic acid Openeye Name: 9,10-bis(octoxycarbonyl)octadecane-9-sulfonic acid CAS Name: 9,10-bis[octoxy(oxo)methyl]-9-octadecanesulfonic acid IUPAC Name: 9,10-bis(octoxycarbonyl)octadecane-9-sulfonic acid Traditional Name: 9,10-bis(octoxycarbonyl)octadecane-9-sulfonic acid Formula: C36H70O7S MolecularWeight: 647.0018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H70O7S/c1-5-9-13-17-21-25-29-33(34(37)42-31-27-23-19-15-11-7-3)36(44(39,40)41,30-26-22-18-14-10-6-2)35(38)43-32-28-24-20-16-12-8-4/h33H,5-32H2,1-4H3,(H,39,40,41)