disodium 2-[1,1-bis(oxidanyl)decan-3-yl]-3,6-bis(oxidanylidene)-5-sulfonato-cyclohexene-1-carboxylate

Systemtic Name: disodium 2-[1,1-bis(oxidanyl)decan-3-yl]-3,6-bis(oxidanylidene)-5-sulfonato-cyclohexene-1-carboxylate Openeye Name: disodium 2-[1-(2,2-dihydroxyethyl)octyl]-3,6-dioxo-5-sulfonato-cyclohexene-1-carboxylate CAS Name: disodium 2-(1,1-dihydroxydecan-3-yl)-3,6-dioxo-5-sulfonato-1-cyclohexenecarboxylate IUPAC Name: disodium 2-(1,1-dihydroxydecan-3-yl)-3,6-dioxo-5-sulfonatocyclohexene-1-carboxylate Traditional Name: disodium 2-[1-(2,2-dihydroxyethyl)octyl]-3,6-diketo-5-sulfonato-cyclohexene-1-carboxylate Formula: C17H24Na2O9S MolecularWeight: 450.4116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CC(O)O)C1=C(C(=O)C(CC1=O)S(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCC(CC(O)O)C1=C(C(=O)C(CC1=O)S(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C17H26O9S.2Na/c1-2-3-4-5-6-7-10(8-13(19)20)14-11(18)9-12(27(24,25)26)16(21)15(14)17(22)23;;/h10,12-13,19-20H,2-9H2,1H3,(H,22,23)(H,24,25,26);;/q;2*+1/p-2