3,4-bis(1,3-benzothiazol-2-yldisulfanyl)butanoate

Systemtic Name: 3,4-bis(1,3-benzothiazol-2-yldisulfanyl)butanoate Openeye Name: 3,4-bis(1,3-benzothiazol-2-yldisulfanyl)butanoate CAS Name: 3,4-bis(1,3-benzothiazol-2-yldisulfanyl)butanoate IUPAC Name: 3,4-bis(1,3-benzothiazol-2-yldisulfanyl)butanoate Traditional Name: 3,4-bis(1,3-benzothiazol-2-yldisulfanyl)butyrate Formula: C18H13N2O2S6- MolecularWeight: 481.69802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SSCC(CC(=O)[O-])SSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SSCC(CC(=O)[O-])SSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H14N2O2S6/c21-16(22)9-11(26-28-18-20-13-6-2-4-8-15(13)25-18)10-23-27-17-19-12-5-1-3-7-14(12)24-17/h1-8,11H,9-10H2,(H,21,22)/p-1