3-[(5-methyl-2-oxidanylidene-1,3-dioxol-4-yl)methylsulfanyl]benzenesulfonic acid

Systemtic Name: 3-[(5-methyl-2-oxidanylidene-1,3-dioxol-4-yl)methylsulfanyl]benzenesulfonic acid Openeye Name: 3-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methylsulfanyl]benzenesulfonic acid CAS Name: 3-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methylthio]benzenesulfonic acid IUPAC Name: 3-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methylsulfanyl]benzenesulfonic acid Traditional Name: 3-[(2-keto-5-methyl-1,3-dioxol-4-yl)methylthio]besylic acid Formula: C11H10O6S2 MolecularWeight: 302.3235

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=O)O1)CSC2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

CC1=C(OC(=O)O1)CSC2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C11H10O6S2/c1-7-10(17-11(12)16-7)6-18-8-3-2-4-9(5-8)19(13,14)15/h2-5H,6H2,1H3,(H,13,14,15)