sodium 1,4-di(heptan-3-yloxy)-1,4-bis(oxidanylidene)butane-2-sulfonate

Systemtic Name: sodium 1,4-di(heptan-3-yloxy)-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: sodium 1,4-bis(1-ethylpentoxy)-1,4-dioxo-butane-2-sulfonate CAS Name: sodium 1,4-di(heptan-3-yloxy)-1,4-dioxo-2-butanesulfonate IUPAC Name: sodium 1,4-di(heptan-3-yloxy)-1,4-dioxobutane-2-sulfonate Traditional Name: sodium 1,4-bis(1-ethylpentoxy)-1,4-diketo-butane-2-sulfonate Formula: C18H33NaO7S MolecularWeight: 416.50519

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H34O7S.Na/c1-5-9-11-14(7-3)24-17(19)13-16(26(21,22)23)18(20)25-15(8-4)12-10-6-2;/h14-16H,5-13H2,1-4H3,(H,21,22,23);/q;+1/p-1