cycloheptene; 4-methylbenzenesulfonic acid

Systemtic Name: cycloheptene; 4-methylbenzenesulfonic acid Openeye Name: cycloheptene; 4-methylbenzenesulfonic acid CAS Name: cycloheptene; 4-methylbenzenesulfonic acid IUPAC Name: cycloheptene; 4-methylbenzenesulfonic acid Traditional Name: cycloheptene; tosylic acid Formula: C14H20O3S MolecularWeight: 268.3718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC=CCC1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC=CCC1

InChI

InChI=1S/C7H8O3S.C7H12/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-4-6-7-5-3-1/h2-5H,1H3,(H,8,9,10);1-2H,3-7H2