3-(2-methylsulfanyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)propane-1-sulfonate

Systemtic Name: 3-(2-methylsulfanyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)propane-1-sulfonate Openeye Name: 3-(2-methylsulfanyl-9H-oxazolo[5,4-b]carbazol-3-ium-3-yl)propane-1-sulfonate CAS Name: 3-[2-(methylthio)-9H-oxazolo[5,4-b]carbazol-3-ium-3-yl]-1-propanesulfonate IUPAC Name: 3-(2-methylsulfanyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)propane-1-sulfonate Traditional Name: 3-[2-(methylthio)-9H-oxazolo[5,4-b]carbazol-3-ium-3-yl]propane-1-sulfonate Formula: C17H16N2O4S2 MolecularWeight: 376.44994

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=[N+](C2=C(O1)C=C3C(=C2)C4=CC=CC=C4N3)CCCS(=O)(=O)[O-]

Isomeric SMILES

CSC1=[N+](C2=C(O1)C=C3C(=C2)C4=CC=CC=C4N3)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C17H16N2O4S2/c1-24-17-19(7-4-8-25(20,21)22)15-9-12-11-5-2-3-6-13(11)18-14(12)10-16(15)23-17/h2-3,5-6,9-10,18H,4,7-8H2,1H3