ethyl 2-methyl-4-oxidanyl-benzenesulfonate; methanesulfonic acid

Systemtic Name: ethyl 2-methyl-4-oxidanyl-benzenesulfonate; methanesulfonic acid Openeye Name: ethyl 4-hydroxy-2-methyl-benzenesulfonate; methanesulfonic acid CAS Name: 4-hydroxy-2-methylbenzenesulfonic acid ethyl ester; methanesulfonic acid IUPAC Name: ethyl 4-hydroxy-2-methylbenzenesulfonate; methanesulfonic acid Traditional Name: 4-hydroxy-2-methyl-benzenesulfonic acid ethyl ester; mesylic acid Formula: C10H16O7S2 MolecularWeight: 312.35984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)C1=C(C=C(C=C1)O)C.CS(=O)(=O)O

Isomeric SMILES

CCOS(=O)(=O)C1=C(C=C(C=C1)O)C.CS(=O)(=O)O

InChI

InChI=1S/C9H12O4S.CH4O3S/c1-3-13-14(11,12)9-5-4-8(10)6-7(9)2;1-5(2,3)4/h4-6,10H,3H2,1-2H3;1H3,(H,2,3,4)