2-[1,1-bis(oxidanyl)decan-3-yl]-3,6-bis(oxidanylidene)-5-sulfo-cyclohexene-1-carboxylic acid

Systemtic Name: 2-[1,1-bis(oxidanyl)decan-3-yl]-3,6-bis(oxidanylidene)-5-sulfo-cyclohexene-1-carboxylic acid Openeye Name: 2-[1-(2,2-dihydroxyethyl)octyl]-3,6-dioxo-5-sulfo-cyclohexene-1-carboxylic acid CAS Name: 2-(1,1-dihydroxydecan-3-yl)-3,6-dioxo-5-sulfo-1-cyclohexenecarboxylic acid IUPAC Name: 2-(1,1-dihydroxydecan-3-yl)-3,6-dioxo-5-sulfocyclohexene-1-carboxylic acid Traditional Name: 2-[1-(2,2-dihydroxyethyl)octyl]-3,6-diketo-5-sulfo-cyclohexene-1-carboxylic acid Formula: C17H26O9S MolecularWeight: 406.44794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CC(O)O)C1=C(C(=O)C(CC1=O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCC(CC(O)O)C1=C(C(=O)C(CC1=O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C17H26O9S/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)