(4-butoxyphenyl) 4-[bis(azanyl)methylideneamino]benzoate; 4-methylbenzenesulfonic acid

Systemtic Name: (4-butoxyphenyl) 4-[bis(azanyl)methylideneamino]benzoate; 4-methylbenzenesulfonic acid Openeye Name: (4-butoxyphenyl) 4-guanidinobenzoate; 4-methylbenzenesulfonic acid CAS Name: 4-(diaminomethylideneamino)benzoic acid (4-butoxyphenyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: (4-butoxyphenyl) 4-(diaminomethylideneamino)benzoate; 4-methylbenzenesulfonic acid Traditional Name: 4-guanidinobenzoic acid (4-butoxyphenyl) ester; tosylic acid Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C18H21N3O3.C7H8O3S/c1-2-3-12-23-15-8-10-16(11-9-15)24-17(22)13-4-6-14(7-5-13)21-18(19)20;1-6-2-4-7(5-3-6)11(8,9)10/h4-11H,2-3,12H2,1H3,(H4,19,20,21);2-5H,1H3,(H,8,9,10)