4-methylbenzenesulfonic acid; (phenylmethyl)benzene

Systemtic Name: 4-methylbenzenesulfonic acid; (phenylmethyl)benzene Openeye Name: benzylbenzene; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; (phenylmethyl)benzene IUPAC Name: benzylbenzene; 4-methylbenzenesulfonic acid Traditional Name: benzylbenzene; tosylic acid Formula: C20H20O3S MolecularWeight: 340.436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CC2=CC=CC=C2

InChI

InChI=1S/C13H12.C7H8O3S/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-6-2-4-7(5-3-6)11(8,9)10/h1-10H,11H2;2-5H,1H3,(H,8,9,10)