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

Systemtic Name: sodium 1,4-di(hexan-2-yloxy)-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: sodium 1,4-bis(1-methylpentoxy)-1,4-dioxo-butane-2-sulfonate CAS Name: sodium 1,4-di(hexan-2-yloxy)-1,4-dioxo-2-butanesulfonate IUPAC Name: sodium 1,4-di(hexan-2-yloxy)-1,4-dioxobutane-2-sulfonate Traditional Name: sodium 1,4-diketo-1,4-bis(1-methylpentoxy)butane-2-sulfonate Formula: C16H29NaO7S MolecularWeight: 388.45203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)OC(=O)CC(C(=O)OC(C)CCCC)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCC(C)OC(=O)CC(C(=O)OC(C)CCCC)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H30O7S.Na/c1-5-7-9-12(3)22-15(17)11-14(24(19,20)21)16(18)23-13(4)10-8-6-2;/h12-14H,5-11H2,1-4H3,(H,19,20,21);/q;+1/p-1