4-methylbenzenesulfonic acid; (5-methyl-2-propan-2-yl-phenyl) 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: 4-methylbenzenesulfonic acid; (5-methyl-2-propan-2-yl-phenyl) 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: (2-isopropyl-5-methyl-phenyl) 4-guanidinobenzoate; 4-methylbenzenesulfonic acid CAS Name: 4-(diaminomethylideneamino)benzoic acid (5-methyl-2-propan-2-ylphenyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: 4-methylbenzenesulfonic acid; (5-methyl-2-propan-2-ylphenyl) 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid (2-isopropyl-5-methyl-phenyl) ester; tosylic acid Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2.C7H8O3S/c1-11(2)15-9-4-12(3)10-16(15)23-17(22)13-5-7-14(8-6-13)21-18(19)20;1-6-2-4-7(5-3-6)11(8,9)10/h4-11H,1-3H3,(H4,19,20,21);2-5H,1H3,(H,8,9,10)