5-(1,3-dioxol-4-ylmethyl)-3-methyl-6-oxidanylidene-4-sulfanylidene-cyclohexene-1-sulfonic acid

Systemtic Name: 5-(1,3-dioxol-4-ylmethyl)-3-methyl-6-oxidanylidene-4-sulfanylidene-cyclohexene-1-sulfonic acid Openeye Name: 5-(1,3-dioxol-4-ylmethyl)-3-methyl-6-oxo-4-thioxo-cyclohexene-1-sulfonic acid CAS Name: 5-(1,3-dioxol-4-ylmethyl)-3-methyl-6-oxo-4-sulfanylidene-1-cyclohexenesulfonic acid IUPAC Name: 5-(1,3-dioxol-4-ylmethyl)-3-methyl-6-oxo-4-sulfanylidenecyclohexene-1-sulfonic acid Traditional Name: 5-(1,3-dioxol-4-ylmethyl)-6-keto-3-methyl-4-thioxo-cyclohexene-1-sulfonic acid Formula: C11H12O6S2 MolecularWeight: 304.33938

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C(=O)C(C1=S)CC2=COCO2)S(=O)(=O)O

Isomeric SMILES

CC1C=C(C(=O)C(C1=S)CC2=COCO2)S(=O)(=O)O

InChI

InChI=1S/C11H12O6S2/c1-6-2-9(19(13,14)15)10(12)8(11(6)18)3-7-4-16-5-17-7/h2,4,6,8H,3,5H2,1H3,(H,13,14,15)