4-methylbenzenesulfonic acid; 3-(3-phenylpropoxy)benzenecarboximidamide

Systemtic Name: 4-methylbenzenesulfonic acid; 3-(3-phenylpropoxy)benzenecarboximidamide Openeye Name: 4-methylbenzenesulfonic acid; 3-(3-phenylpropoxy)benzamidine CAS Name: 4-methylbenzenesulfonic acid; 3-(3-phenylpropoxy)benzenecarboximidamide IUPAC Name: 4-methylbenzenesulfonic acid; 3-(3-phenylpropoxy)benzenecarboximidamide Traditional Name: 3-(3-phenylpropoxy)benzamidine; tosylic acid Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CCCOC2=CC=CC(=C2)C(=N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CCCOC2=CC=CC(=C2)C(=N)N

InChI

InChI=1S/C16H18N2O.C7H8O3S/c17-16(18)14-9-4-10-15(12-14)19-11-5-8-13-6-2-1-3-7-13;1-6-2-4-7(5-3-6)11(8,9)10/h1-4,6-7,9-10,12H,5,8,11H2,(H3,17,18);2-5H,1H3,(H,8,9,10)