4-methylbenzenesulfonic acid hydrate

Systemtic Name: 4-methylbenzenesulfonic acid hydrate Openeye Name: 4-methylbenzenesulfonic acid hydrate CAS Name: 4-methylbenzenesulfonic acid hydrate IUPAC Name: 4-methylbenzenesulfonic acid hydrate Traditional Name: tosylic acid hydrate Formula: C7H10O4S MolecularWeight: 190.2169

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.O

InChI

InChI=1S/C7H8O3S.H2O/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);1H2