sodium 1,4-di(octan-2-yloxy)-1,4-bis(oxidanylidene)butane-2-sulfonate

Systemtic Name: sodium 1,4-di(octan-2-yloxy)-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: sodium 1,4-bis(1-methylheptoxy)-1,4-dioxo-butane-2-sulfonate CAS Name: sodium 1,4-di(octan-2-yloxy)-1,4-dioxo-2-butanesulfonate IUPAC Name: sodium 1,4-di(octan-2-yloxy)-1,4-dioxobutane-2-sulfonate Traditional Name: sodium 1,4-diketo-1,4-bis(1-methylheptoxy)butane-2-sulfonate Formula: C20H37NaO7S MolecularWeight: 444.55835

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)CC(C(=O)OC(C)CCCCCC)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCC(C)OC(=O)CC(C(=O)OC(C)CCCCCC)S(=O)(=O)[O-].[Na+]

InChI

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