4-(2-ethylhexoxy)-1-octan-3-yloxy-1,4-bis(oxidanylidene)butane-2-sulfonic acid

Systemtic Name: 4-(2-ethylhexoxy)-1-octan-3-yloxy-1,4-bis(oxidanylidene)butane-2-sulfonic acid Openeye Name: 1-(1-ethylhexoxy)-4-(2-ethylhexoxy)-1,4-dioxo-butane-2-sulfonic acid CAS Name: 4-(2-ethylhexoxy)-1-octan-3-yloxy-1,4-dioxo-2-butanesulfonic acid IUPAC Name: 4-(2-ethylhexoxy)-1-octan-3-yloxy-1,4-dioxobutane-2-sulfonic acid Traditional Name: 1-(1-ethylhexoxy)-4-(2-ethylhexoxy)-1,4-diketo-butane-2-sulfonic acid Formula: C20H38O7S MolecularWeight: 422.57652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H38O7S/c1-5-9-11-13-17(8-4)27-20(22)18(28(23,24)25)14-19(21)26-15-16(7-3)12-10-6-2/h16-18H,5-15H2,1-4H3,(H,23,24,25)