4-(2-ethylheptoxy)-1-(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonic acid

Systemtic Name: 4-(2-ethylheptoxy)-1-(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonic acid Openeye Name: 4-(2-ethylheptoxy)-1-(2-ethylhexoxy)-1,4-dioxo-butane-2-sulfonic acid CAS Name: 4-(2-ethylheptoxy)-1-(2-ethylhexoxy)-1,4-dioxo-2-butanesulfonic acid IUPAC Name: 4-(2-ethylheptoxy)-1-(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonic acid Traditional Name: 4-(2-ethylheptoxy)-1-(2-ethylhexoxy)-1,4-diketo-butane-2-sulfonic acid Formula: C21H40O7S MolecularWeight: 436.6031

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O

Isomeric SMILES

CCCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O

InChI

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