1-(1-oxidanyl-3H-2,1-benzoxaborol-6-yl)-3-phenylsulfanyl-indole

Systemtic Name: 1-(1-oxidanyl-3H-2,1-benzoxaborol-6-yl)-3-phenylsulfanyl-indole Openeye Name: 1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-3-phenylsulfanyl-indole CAS Name: 1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-3-(phenylthio)indole IUPAC Name: 1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-3-phenylsulfanylindole Traditional Name: 1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-3-(phenylthio)indole Formula: C21H16BNO2S MolecularWeight: 357.23324

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Descriptors Computed from Structure

Canonical SMILES:

B1(C2=C(CO1)C=CC(=C2)N3C=C(C4=CC=CC=C43)SC5=CC=CC=C5)O

Isomeric SMILES

B1(C2=C(CO1)C=CC(=C2)N3C=C(C4=CC=CC=C43)SC5=CC=CC=C5)O

InChI

InChI=1S/C21H16BNO2S/c24-22-19-12-16(11-10-15(19)14-25-22)23-13-21(18-8-4-5-9-20(18)23)26-17-6-2-1-3-7-17/h1-13,24H,14H2