4-methylbenzenesulfonic acid; 2-methyl-1H-isoquinoline

Systemtic Name: 4-methylbenzenesulfonic acid; 2-methyl-1H-isoquinoline Openeye Name: 4-methylbenzenesulfonic acid; 2-methyl-1H-isoquinoline CAS Name: 4-methylbenzenesulfonic acid; 2-methyl-1H-isoquinoline IUPAC Name: 4-methylbenzenesulfonic acid; 2-methyl-1H-isoquinoline Traditional Name: 2-methyl-1H-isoquinoline; tosylic acid Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN1CC2=CC=CC=C2C=C1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN1CC2=CC=CC=C2C=C1

InChI

InChI=1S/C10H11N.C7H8O3S/c1-11-7-6-9-4-2-3-5-10(9)8-11;1-6-2-4-7(5-3-6)11(8,9)10/h2-7H,8H2,1H3;2-5H,1H3,(H,8,9,10)