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

Systemtic Name: 4-methylbenzenesulfonic acid; 3-(3-phenoxypropoxy)benzenecarboximidamide Openeye Name: 4-methylbenzenesulfonic acid; 3-(3-phenoxypropoxy)benzamidine CAS Name: 4-methylbenzenesulfonic acid; 3-(3-phenoxypropoxy)benzenecarboximidamide IUPAC Name: 4-methylbenzenesulfonic acid; 3-(3-phenoxypropoxy)benzenecarboximidamide Traditional Name: 3-(3-phenoxypropoxy)benzamidine; tosylic acid Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)OCCCOC2=CC=CC(=C2)C(=N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)OCCCOC2=CC=CC(=C2)C(=N)N

InChI

InChI=1S/C16H18N2O2.C7H8O3S/c17-16(18)13-6-4-9-15(12-13)20-11-5-10-19-14-7-2-1-3-8-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-4,6-9,12H,5,10-11H2,(H3,17,18);2-5H,1H3,(H,8,9,10)