6-[2,3-dimethyl-5-(trioxidanylsulfanyl)indol-3-yl]hexanoic acid

Systemtic Name: 6-[2,3-dimethyl-5-(trioxidanylsulfanyl)indol-3-yl]hexanoic acid Openeye Name: 6-[2,3-dimethyl-5-(trioxidanylsulfanyl)indol-3-yl]hexanoic acid CAS Name: 6-[2,3-dimethyl-5-(trioxidanylthio)-3-indolyl]hexanoic acid IUPAC Name: 6-[2,3-dimethyl-5-(trioxidanylsulfanyl)indol-3-yl]hexanoic acid Traditional Name: 6-[2,3-dimethyl-5-(trioxidanylthio)indol-3-yl]hexanoic acid Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C1(C)CCCCCC(=O)O)C=C(C=C2)SOOO

Isomeric SMILES

CC1=NC2=C(C1(C)CCCCCC(=O)O)C=C(C=C2)SOOO

InChI

InChI=1S/C16H21NO5S/c1-11-16(2,9-5-3-4-6-15(18)19)13-10-12(23-22-21-20)7-8-14(13)17-11/h7-8,10,20H,3-6,9H2,1-2H3,(H,18,19)