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2-[(3-octyl-2H-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid

2-[(3-octyl-2H-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid

Systemtic Name:2-[(3-octyl-2H-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid
Openeye Name:2-[(3-octyl-2H-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid
CAS Name:2-[(3-octyl-2H-1,3-benzothiazol-2-yl)thio]butanedioic acid
IUPAC Name:2-[(3-octyl-2H-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid
Traditional Name:2-[(3-octyl-2H-1,3-benzothiazol-2-yl)thio]succinic acid
Formula: C19H27NO4S2
MolecularWeight: 397.55198
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(SC2=CC=CC=C21)SC(CC(=O)O)C(=O)O


Isomeric SMILES

CCCCCCCCN1C(SC2=CC=CC=C21)SC(CC(=O)O)C(=O)O


InChI

InChI=1S/C19H27NO4S2/c1-2-3-4-5-6-9-12-20-14-10-7-8-11-15(14)25-19(20)26-16(18(23)24)13-17(21)22/h7-8,10-11,16,19H,2-6,9,12-13H2,1H3,(H,21,22)(H,23,24)


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