sodium 1,4-dicyclohexyloxy-1,4-bis(oxidanylidene)butane-2-sulfonic acid

Systemtic Name: sodium 1,4-dicyclohexyloxy-1,4-bis(oxidanylidene)butane-2-sulfonic acid Openeye Name: sodium 1,4-bis(cyclohexoxy)-1,4-dioxo-butane-2-sulfonic acid CAS Name: sodium 1,4-dicyclohexyloxy-1,4-dioxo-2-butanesulfonic acid IUPAC Name: sodium 1,4-dicyclohexyloxy-1,4-dioxobutane-2-sulfonic acid Traditional Name: sodium 1,4-bis(cyclohexoxy)-1,4-diketo-butane-2-sulfonic acid Formula: C16H26NaO7S+ MolecularWeight: 385.42821

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CC(C(=O)OC2CCCCC2)S(=O)(=O)O.[Na+]

Isomeric SMILES

C1CCC(CC1)OC(=O)CC(C(=O)OC2CCCCC2)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C16H26O7S.Na/c17-15(22-12-7-3-1-4-8-12)11-14(24(19,20)21)16(18)23-13-9-5-2-6-10-13;/h12-14H,1-11H2,(H,19,20,21);/q;+1