1,5-bis(6-methylheptoxy)-1,4-bis(oxidanylidene)pentane-2-sulfonic acid

Systemtic Name: 1,5-bis(6-methylheptoxy)-1,4-bis(oxidanylidene)pentane-2-sulfonic acid Openeye Name: 1,5-bis(6-methylheptoxy)-1,4-dioxo-pentane-2-sulfonic acid CAS Name: 1,5-bis(6-methylheptoxy)-1,4-dioxo-2-pentanesulfonic acid IUPAC Name: 1,5-bis(6-methylheptoxy)-1,4-dioxopentane-2-sulfonic acid Traditional Name: 1,4-diketo-1,5-bis(6-methylheptoxy)pentane-2-sulfonic acid Formula: C21H40O7S MolecularWeight: 436.6031

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOCC(=O)CC(C(=O)OCCCCCC(C)C)S(=O)(=O)O

Isomeric SMILES

CC(C)CCCCCOCC(=O)CC(C(=O)OCCCCCC(C)C)S(=O)(=O)O

InChI

InChI=1S/C21H40O7S/c1-17(2)11-7-5-9-13-27-16-19(22)15-20(29(24,25)26)21(23)28-14-10-6-8-12-18(3)4/h17-18,20H,5-16H2,1-4H3,(H,24,25,26)