1,4-bis(2,6-dimethylheptoxy)-1,4-bis(oxidanylidene)butane-2-sulfonic acid

Systemtic Name: 1,4-bis(2,6-dimethylheptoxy)-1,4-bis(oxidanylidene)butane-2-sulfonic acid Openeye Name: 1,4-bis(2,6-dimethylheptoxy)-1,4-dioxo-butane-2-sulfonic acid CAS Name: 1,4-bis(2,6-dimethylheptoxy)-1,4-dioxo-2-butanesulfonic acid IUPAC Name: 1,4-bis(2,6-dimethylheptoxy)-1,4-dioxobutane-2-sulfonic acid Traditional Name: 1,4-bis(2,6-dimethylheptoxy)-1,4-diketo-butane-2-sulfonic acid Formula: C22H42O7S MolecularWeight: 450.62968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H42O7S/c1-16(2)9-7-11-18(5)14-28-21(23)13-20(30(25,26)27)22(24)29-15-19(6)12-8-10-17(3)4/h16-20H,7-15H2,1-6H3,(H,25,26,27)