6-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]hexanoic acid

Systemtic Name: 6-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]hexanoic acid Openeye Name: 6-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]hexanoic acid CAS Name: 6-[(4-oxo-1,2,3-benzotriazin-3-yl)methylthio]hexanoic acid IUPAC Name: 6-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]hexanoic acid Traditional Name: 6-[(4-keto-1,2,3-benzotriazin-3-yl)methylthio]hexanoic acid Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CSCCCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CSCCCCCC(=O)O

InChI

InChI=1S/C14H17N3O3S/c18-13(19)8-2-1-5-9-21-10-17-14(20)11-6-3-4-7-12(11)15-16-17/h3-4,6-7H,1-2,5,8-10H2,(H,18,19)