2-[(4-phenyldiazenylphenyl)methylsulfanyl]ethyl 6-azanylhexanoate

Systemtic Name: 2-[(4-phenyldiazenylphenyl)methylsulfanyl]ethyl 6-azanylhexanoate Openeye Name: 2-[(4-phenylazophenyl)methylsulfanyl]ethyl 6-aminohexanoate CAS Name: 6-aminohexanoic acid 2-[(4-phenyldiazenylphenyl)methylthio]ethyl ester IUPAC Name: 2-[(4-phenyldiazenylphenyl)methylsulfanyl]ethyl 6-aminohexanoate Traditional Name: 6-aminohexanoic acid 2-[(4-phenylazobenzyl)thio]ethyl ester Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)CSCCOC(=O)CCCCCN

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)CSCCOC(=O)CCCCCN

InChI

InChI=1S/C21H27N3O2S/c22-14-6-2-5-9-21(25)26-15-16-27-17-18-10-12-20(13-11-18)24-23-19-7-3-1-4-8-19/h1,3-4,7-8,10-13H,2,5-6,9,14-17,22H2