4-methylbenzenesulfonic acid; 3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzenecarboximidamide

Systemtic Name: 4-methylbenzenesulfonic acid; 3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzenecarboximidamide Openeye Name: 4-methylbenzenesulfonic acid; 3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzamidine CAS Name: 4-methylbenzenesulfonic acid; 3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzenecarboximidamide IUPAC Name: 4-methylbenzenesulfonic acid; 3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzenecarboximidamide Traditional Name: tosylic acid; 3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzamidine Formula: C24H25F3N2O5S MolecularWeight: 510.52591

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17F3N2O2.C7H8O3S/c18-17(19,20)13-5-2-7-15(11-13)24-9-3-8-23-14-6-1-4-12(10-14)16(21)22;1-6-2-4-7(5-3-6)11(8,9)10/h1-2,4-7,10-11H,3,8-9H2,(H3,21,22);2-5H,1H3,(H,8,9,10)