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3,4-bis(1,3-benzothiazol-2-ylsulfanyl)hexanedioic acid

3,4-bis(1,3-benzothiazol-2-ylsulfanyl)hexanedioic acid

Systemtic Name:3,4-bis(1,3-benzothiazol-2-ylsulfanyl)hexanedioic acid
Openeye Name:3,4-bis(1,3-benzothiazol-2-ylsulfanyl)hexanedioic acid
CAS Name:3,4-bis(1,3-benzothiazol-2-ylthio)hexanedioic acid
IUPAC Name:3,4-bis(1,3-benzothiazol-2-ylsulfanyl)hexanedioic acid
Traditional Name:3,4-bis(1,3-benzothiazol-2-ylthio)adipic acid
Formula: C20H16N2O4S4
MolecularWeight: 476.61204
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C20H16N2O4S4/c23-17(24)9-15(29-19-21-11-5-1-3-7-13(11)27-19)16(10-18(25)26)30-20-22-12-6-2-4-8-14(12)28-20/h1-8,15-16H,9-10H2,(H,23,24)(H,25,26)


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