2H-benzotriazole; 5-[bis(azanyl)methylideneamino]-2-[(triphenylmethyl)amino]pentanoic acid

Systemtic Name: 2H-benzotriazole; 5-[bis(azanyl)methylideneamino]-2-[(triphenylmethyl)amino]pentanoic acid Openeye Name: 2H-benzotriazole; 5-guanidino-2-(tritylamino)pentanoic acid CAS Name: 2H-benzotriazole; 5-(diaminomethylideneamino)-2-[(triphenylmethyl)amino]pentanoic acid IUPAC Name: 2H-benzotriazole; 5-(diaminomethylideneamino)-2-(tritylamino)pentanoic acid Traditional Name: 2H-benzotriazole; 5-guanidino-2-(tritylamino)valeric acid Formula: C31H33N7O2 MolecularWeight: 535.63942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(CCCN=C(N)N)C(=O)O.C1=CC2=NNN=C2C=C1

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(CCCN=C(N)N)C(=O)O.C1=CC2=NNN=C2C=C1

InChI

InChI=1S/C25H28N4O2.C6H5N3/c26-24(27)28-18-10-17-22(23(30)31)29-25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;1-2-4-6-5(3-1)7-9-8-6/h1-9,11-16,22,29H,10,17-18H2,(H,30,31)(H4,26,27,28);1-4H,(H,7,8,9)