4-methylbenzenesulfonic acid; 3-phenylmethoxybenzenecarboximidamide

Systemtic Name: 4-methylbenzenesulfonic acid; 3-phenylmethoxybenzenecarboximidamide Openeye Name: 3-benzyloxybenzamidine; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; 3-phenylmethoxybenzenecarboximidamide IUPAC Name: 4-methylbenzenesulfonic acid; 3-phenylmethoxybenzenecarboximidamide Traditional Name: 3-benzoxybenzamidine; tosylic acid Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC2=CC=CC(=C2)C(=N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC2=CC=CC(=C2)C(=N)N

InChI

InChI=1S/C14H14N2O.C7H8O3S/c15-14(16)12-7-4-8-13(9-12)17-10-11-5-2-1-3-6-11;1-6-2-4-7(5-3-6)11(8,9)10/h1-9H,10H2,(H3,15,16);2-5H,1H3,(H,8,9,10)