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6,8-bis(1,3-benzothiazol-2-ylsulfanyl)octanoic acid

6,8-bis(1,3-benzothiazol-2-ylsulfanyl)octanoic acid

Systemtic Name:6,8-bis(1,3-benzothiazol-2-ylsulfanyl)octanoic acid
Openeye Name:6,8-bis(1,3-benzothiazol-2-ylsulfanyl)octanoic acid
CAS Name:6,8-bis(1,3-benzothiazol-2-ylthio)octanoic acid
IUPAC Name:6,8-bis(1,3-benzothiazol-2-ylsulfanyl)octanoic acid
Traditional Name:6,8-bis(1,3-benzothiazol-2-ylthio)caprylic acid
Formula: C22H22N2O2S4
MolecularWeight: 474.68228
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCC(CCCCC(=O)O)SC3=NC4=CC=CC=C4S3


Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCC(CCCCC(=O)O)SC3=NC4=CC=CC=C4S3


InChI

InChI=1S/C22H22N2O2S4/c25-20(26)12-6-1-7-15(28-22-24-17-9-3-5-11-19(17)30-22)13-14-27-21-23-16-8-2-4-10-18(16)29-21/h2-5,8-11,15H,1,6-7,12-14H2,(H,25,26)


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