7-[(4-azidophenyl)disulfanyl]-2-ethoxycarbonyl-octanoic acid

Systemtic Name: 7-[(4-azidophenyl)disulfanyl]-2-ethoxycarbonyl-octanoic acid Openeye Name: 7-[(4-azidophenyl)disulfanyl]-2-ethoxycarbonyl-octanoic acid CAS Name: 7-[(4-azidophenyl)disulfanyl]-2-ethoxycarbonyloctanoic acid IUPAC Name: 7-[(4-azidophenyl)disulfanyl]-2-ethoxycarbonyloctanoic acid Traditional Name: 7-[(4-azidophenyl)disulfanyl]-2-carbethoxy-caprylic acid Formula: C17H23N3O4S2 MolecularWeight: 397.51222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCC(C)SSC1=CC=C(C=C1)N=[N+]=[N-])C(=O)O

Isomeric SMILES

CCOC(=O)C(CCCCC(C)SSC1=CC=C(C=C1)N=[N+]=[N-])C(=O)O

InChI

InChI=1S/C17H23N3O4S2/c1-3-24-17(23)15(16(21)22)7-5-4-6-12(2)25-26-14-10-8-13(9-11-14)19-20-18/h8-12,15H,3-7H2,1-2H3,(H,21,22)