methane; 4-methylbenzenesulfonic acid

Systemtic Name: methane; 4-methylbenzenesulfonic acid Openeye Name: methane; 4-methylbenzenesulfonic acid CAS Name: methane; 4-methylbenzenesulfonic acid IUPAC Name: methane; 4-methylbenzenesulfonic acid Traditional Name: methane; tosylic acid Formula: C8H12O3S MolecularWeight: 188.24408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.CH4/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);1H4