5-(1,3-dioxol-4-ylmethylsulfanyl)-3-methyl-6-oxidanylidene-cyclohexa-1,3-diene-1-sulfonic acid

Systemtic Name: 5-(1,3-dioxol-4-ylmethylsulfanyl)-3-methyl-6-oxidanylidene-cyclohexa-1,3-diene-1-sulfonic acid Openeye Name: 5-(1,3-dioxol-4-ylmethylsulfanyl)-3-methyl-6-oxo-cyclohexa-1,3-diene-1-sulfonic acid CAS Name: 5-(1,3-dioxol-4-ylmethylthio)-3-methyl-6-oxo-1-cyclohexa-1,3-dienesulfonic acid IUPAC Name: 5-(1,3-dioxol-4-ylmethylsulfanyl)-3-methyl-6-oxocyclohexa-1,3-diene-1-sulfonic acid Traditional Name: 5-(1,3-dioxol-4-ylmethylthio)-6-keto-3-methyl-cyclohexa-1,3-diene-1-sulfonic acid Formula: C11H12O6S2 MolecularWeight: 304.33938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(=O)C(=C1)S(=O)(=O)O)SCC2=COCO2

Isomeric SMILES

CC1=CC(C(=O)C(=C1)S(=O)(=O)O)SCC2=COCO2

InChI

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