disodium 2-[1,1-bis(oxidanyl)-10-sulfonato-decan-3-yl]-3,6-bis(oxidanylidene)cyclohexene-1-carboxylate

Systemtic Name: disodium 2-[1,1-bis(oxidanyl)-10-sulfonato-decan-3-yl]-3,6-bis(oxidanylidene)cyclohexene-1-carboxylate Openeye Name: disodium 2-[1-(2,2-dihydroxyethyl)-8-sulfonato-octyl]-3,6-dioxo-cyclohexene-1-carboxylate CAS Name: disodium 2-(1,1-dihydroxy-10-sulfonatodecan-3-yl)-3,6-dioxo-1-cyclohexenecarboxylate IUPAC Name: disodium 2-(1,1-dihydroxy-10-sulfonatodecan-3-yl)-3,6-dioxocyclohexene-1-carboxylate Traditional Name: disodium 2-[1-(2,2-dihydroxyethyl)-8-sulfonato-octyl]-3,6-diketo-cyclohexene-1-carboxylate Formula: C17H24Na2O9S MolecularWeight: 450.4116

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(=C(C1=O)C(CCCCCCCS(=O)(=O)[O-])CC(O)O)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1CC(=O)C(=C(C1=O)C(CCCCCCCS(=O)(=O)[O-])CC(O)O)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C17H26O9S.2Na/c18-12-7-8-13(19)16(17(22)23)15(12)11(10-14(20)21)6-4-2-1-3-5-9-27(24,25)26;;/h11,14,20-21H,1-10H2,(H,22,23)(H,24,25,26);;/q;2*+1/p-2