4-methylbenzenesulfonic acid; 1,2,3-triphenylpropan-1-amine

Systemtic Name: 4-methylbenzenesulfonic acid; 1,2,3-triphenylpropan-1-amine Openeye Name: 4-methylbenzenesulfonic acid; 1,2,3-triphenylpropan-1-amine CAS Name: 4-methylbenzenesulfonic acid; 1,2,3-triphenyl-1-propanamine IUPAC Name: 4-methylbenzenesulfonic acid; 1,2,3-triphenylpropan-1-amine Traditional Name: tosylic acid; 1,2,3-triphenylpropylamine Formula: C28H29NO3S MolecularWeight: 459.59976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CC(C2=CC=CC=C2)C(C3=CC=CC=C3)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CC(C2=CC=CC=C2)C(C3=CC=CC=C3)N

InChI

InChI=1S/C21H21N.C7H8O3S/c22-21(19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)16-17-10-4-1-5-11-17;1-6-2-4-7(5-3-6)11(8,9)10/h1-15,20-21H,16,22H2;2-5H,1H3,(H,8,9,10)