[6-tert-butyl-5-(oxidanyldisulfanyl)indol-1-yl]-methyl-borinic acid

Systemtic Name: [6-tert-butyl-5-(oxidanyldisulfanyl)indol-1-yl]-methyl-borinic acid Openeye Name: [6-tert-butyl-5-(hydroxydisulfanyl)indol-1-yl]-methyl-borinic acid CAS Name: 6-tert-butyl-5-(hydroxydisulfanyl)-1-[hydroxy(methyl)boranyl]indole IUPAC Name: [6-tert-butyl-5-(hydroxydisulfanyl)indol-1-yl]-methylborinic acid Traditional Name: [6-tert-butyl-5-(hydroxydisulfanyl)indol-1-yl]-methyl-borinic acid Formula: C13H18BNO2S2 MolecularWeight: 295.22852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C)(N1C=CC2=CC(=C(C=C21)C(C)(C)C)SSO)O

Isomeric SMILES

B(C)(N1C=CC2=CC(=C(C=C21)C(C)(C)C)SSO)O

InChI

InChI=1S/C13H18BNO2S2/c1-13(2,3)10-8-11-9(7-12(10)18-19-17)5-6-15(11)14(4)16/h5-8,16-17H,1-4H3