2-[1,1-bis(oxidanyl)-10-sulfo-decan-3-yl]-3,6-bis(oxidanylidene)cyclohexene-1-carboxylic acid

Systemtic Name: 2-[1,1-bis(oxidanyl)-10-sulfo-decan-3-yl]-3,6-bis(oxidanylidene)cyclohexene-1-carboxylic acid Openeye Name: 2-[1-(2,2-dihydroxyethyl)-8-sulfo-octyl]-3,6-dioxo-cyclohexene-1-carboxylic acid CAS Name: 2-(1,1-dihydroxy-10-sulfodecan-3-yl)-3,6-dioxo-1-cyclohexenecarboxylic acid IUPAC Name: 2-(1,1-dihydroxy-10-sulfodecan-3-yl)-3,6-dioxocyclohexene-1-carboxylic acid Traditional Name: 2-[1-(2,2-dihydroxyethyl)-8-sulfo-octyl]-3,6-diketo-cyclohexene-1-carboxylic acid Formula: C17H26O9S MolecularWeight: 406.44794

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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

Isomeric SMILES

C1CC(=O)C(=C(C1=O)C(CCCCCCCS(=O)(=O)O)CC(O)O)C(=O)O

InChI

InChI=1S/C17H26O9S/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)