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

Systemtic Name: 1,4-bis(2-ethanoylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonic acid Openeye Name: 1,4-bis(2-acetylhexoxy)-1,4-dioxo-butane-2-sulfonic acid CAS Name: 1,4-bis(2-acetylhexoxy)-1,4-dioxo-2-butanesulfonic acid IUPAC Name: 1,4-bis(2-acetylhexoxy)-1,4-dioxobutane-2-sulfonic acid Traditional Name: 1,4-bis(2-acetylhexoxy)-1,4-diketo-butane-2-sulfonic acid Formula: C20H34O9S MolecularWeight: 450.54356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34O9S/c1-5-7-9-16(14(3)21)12-28-19(23)11-18(30(25,26)27)20(24)29-13-17(15(4)22)10-8-6-2/h16-18H,5-13H2,1-4H3,(H,25,26,27)