2-methylbenzenesulfonic acid; 3-methyl-2H-furan-5-one

Systemtic Name: 2-methylbenzenesulfonic acid; 3-methyl-2H-furan-5-one Openeye Name: 2-methylbenzenesulfonic acid; 3-methyl-2H-furan-5-one CAS Name: 2-methylbenzenesulfonic acid; 3-methyl-2H-furan-5-one IUPAC Name: 2-methylbenzenesulfonic acid; 3-methyl-2H-furan-5-one Traditional Name: 2-methylbesylic acid; 3-methyl-2H-furan-5-one Formula: C12H14O5S MolecularWeight: 270.30156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC1.CC1=CC=CC=C1S(=O)(=O)O

Isomeric SMILES

CC1=CC(=O)OC1.CC1=CC=CC=C1S(=O)(=O)O

InChI

InChI=1S/C7H8O3S.C5H6O2/c1-6-4-2-3-5-7(6)11(8,9)10;1-4-2-5(6)7-3-4/h2-5H,1H3,(H,8,9,10);2H,3H2,1H3