2-(4-methylthiophen-2-yl)-1,3,6,2-dioxazaborocane

Systemtic Name: 2-(4-methylthiophen-2-yl)-1,3,6,2-dioxazaborocane Openeye Name: 2-(4-methyl-2-thienyl)-1,3,6,2-dioxazaborocane CAS Name: 2-(4-methyl-2-thiophenyl)-1,3,6,2-dioxazaborocane IUPAC Name: 2-(4-methylthiophen-2-yl)-1,3,6,2-dioxazaborocane Traditional Name: 2-(4-methyl-2-thienyl)-1,3,6,2-dioxazaborocane Formula: C9H14BNO2S MolecularWeight: 211.08896

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Descriptors Computed from Structure

Canonical SMILES:

B1(OCCNCCO1)C2=CC(=CS2)C

Isomeric SMILES

B1(OCCNCCO1)C2=CC(=CS2)C

InChI

InChI=1S/C9H14BNO2S/c1-8-6-9(14-7-8)10-12-4-2-11-3-5-13-10/h6-7,11H,2-5H2,1H3