2-(4-methylsulfanylphenyl)-1,3,6,2-dioxazaborocane

Systemtic Name: 2-(4-methylsulfanylphenyl)-1,3,6,2-dioxazaborocane Openeye Name: 2-(4-methylsulfanylphenyl)-1,3,6,2-dioxazaborocane CAS Name: 2-[4-(methylthio)phenyl]-1,3,6,2-dioxazaborocane IUPAC Name: 2-(4-methylsulfanylphenyl)-1,3,6,2-dioxazaborocane Traditional Name: 2-[4-(methylthio)phenyl]-1,3,6,2-dioxazaborocane Formula: C11H16BNO2S MolecularWeight: 237.12624

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Descriptors Computed from Structure

Canonical SMILES:

B1(OCCNCCO1)C2=CC=C(C=C2)SC

Isomeric SMILES

B1(OCCNCCO1)C2=CC=C(C=C2)SC

InChI

InChI=1S/C11H16BNO2S/c1-16-11-4-2-10(3-5-11)12-14-8-6-13-7-9-15-12/h2-5,13H,6-9H2,1H3