1-(1-ethylindol-3-yl)ethylsulfanyl hydrogen sulfate

Systemtic Name: 1-(1-ethylindol-3-yl)ethylsulfanyl hydrogen sulfate Openeye Name: 1-(1-ethylindol-3-yl)ethylsulfanyl hydrogen sulfate CAS Name: 1-(1-ethyl-3-indolyl)ethanesulfenic acid sulfo ester IUPAC Name: 1-(1-ethylindol-3-yl)ethylsulfanyl hydrogen sulfate Traditional Name: sulfuric acid [1-(1-ethylindol-3-yl)ethylthio] ester Formula: C12H15NO4S2 MolecularWeight: 301.3818

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C(C)SOS(=O)(=O)O

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C(C)SOS(=O)(=O)O

InChI

InChI=1S/C12H15NO4S2/c1-3-13-8-11(9(2)18-17-19(14,15)16)10-6-4-5-7-12(10)13/h4-9H,3H2,1-2H3,(H,14,15,16)