4-methylbenzenesulfonic acid; thallium

Systemtic Name: 4-methylbenzenesulfonic acid; thallium Openeye Name: 4-methylbenzenesulfonic acid; thallium CAS Name: 4-methylbenzenesulfonic acid; thallium IUPAC Name: 4-methylbenzenesulfonic acid; thallium Traditional Name: thallium; tosylic acid Formula: C21H24O9S3Tl MolecularWeight: 720.98816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.[Tl]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.[Tl]

InChI

InChI=1S/3C7H8O3S.Tl/c3*1-6-2-4-7(5-3-6)11(8,9)10;/h3*2-5H,1H3,(H,8,9,10);