disodium 2-hexyl-5-(8-oxidanidyl-8-oxidanylidene-octyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: disodium 2-hexyl-5-(8-oxidanidyl-8-oxidanylidene-octyl)cyclohex-3-ene-1-carboxylate Openeye Name: disodium 2-hexyl-5-(8-oxido-8-oxo-octyl)cyclohex-3-ene-1-carboxylate CAS Name: disodium 2-hexyl-5-(8-oxido-8-oxooctyl)-1-cyclohex-3-enecarboxylate IUPAC Name: disodium 2-hexyl-5-(8-oxido-8-oxooctyl)cyclohex-3-ene-1-carboxylate Traditional Name: disodium 2-hexyl-5-(8-keto-8-oxido-octyl)cyclohex-3-ene-1-carboxylate Formula: C21H34Na2O4 MolecularWeight: 396.4718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C=CC(CC1C(=O)[O-])CCCCCCCC(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCC1C=CC(CC1C(=O)[O-])CCCCCCCC(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C21H36O4.2Na/c1-2-3-4-9-12-18-15-14-17(16-19(18)21(24)25)11-8-6-5-7-10-13-20(22)23;;/h14-15,17-19H,2-13,16H2,1H3,(H,22,23)(H,24,25);;/q;2*+1/p-2