sodium 4-cyclohexyloxy-1-hexoxy-1,4-bis(oxidanylidene)butane-2-sulfonate

Systemtic Name: sodium 4-cyclohexyloxy-1-hexoxy-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: sodium 4-(cyclohexoxy)-1-hexoxy-1,4-dioxo-butane-2-sulfonate CAS Name: sodium 4-cyclohexyloxy-1-hexoxy-1,4-dioxo-2-butanesulfonate IUPAC Name: sodium 4-cyclohexyloxy-1-hexoxy-1,4-dioxobutane-2-sulfonate Traditional Name: sodium 4-(cyclohexoxy)-1-hexoxy-1,4-diketo-butane-2-sulfonate Formula: C16H27NaO7S MolecularWeight: 386.43615

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(CC(=O)OC1CCCCC1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCOC(=O)C(CC(=O)OC1CCCCC1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H28O7S.Na/c1-2-3-4-8-11-22-16(18)14(24(19,20)21)12-15(17)23-13-9-6-5-7-10-13;/h13-14H,2-12H2,1H3,(H,19,20,21);/q;+1/p-1