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9-oxidanylidene-9-[[2-(4-sulfinobutylsulfanyl)phenyl]amino]nonanoic acid

9-oxidanylidene-9-[[2-(4-sulfinobutylsulfanyl)phenyl]amino]nonanoic acid

Systemtic Name:9-oxidanylidene-9-[[2-(4-sulfinobutylsulfanyl)phenyl]amino]nonanoic acid
Openeye Name:9-oxo-9-[2-(4-sulfinobutylsulfanyl)anilino]nonanoic acid
CAS Name:9-oxo-9-[2-(4-sulfinobutylthio)anilino]nonanoic acid
IUPAC Name:9-oxo-9-[2-(4-sulfinobutylsulfanyl)anilino]nonanoic acid
Traditional Name:9-keto-9-[2-(4-sulfinobutylthio)anilino]pelargonic acid
Formula: C19H29NO5S2
MolecularWeight: 415.56726
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCCCCCC(=O)O)SCCCCS(=O)O


Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCCCCCC(=O)O)SCCCCS(=O)O


InChI

InChI=1S/C19H29NO5S2/c21-18(12-4-2-1-3-5-13-19(22)23)20-16-10-6-7-11-17(16)26-14-8-9-15-27(24)25/h6-7,10-11H,1-5,8-9,12-15H2,(H,20,21)(H,22,23)(H,24,25)


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