6-methyl-2-prop-1-ynyl-1,3,6,2-dioxazaborocane-4,8-dione

Systemtic Name: 6-methyl-2-prop-1-ynyl-1,3,6,2-dioxazaborocane-4,8-dione Openeye Name: 6-methyl-2-prop-1-ynyl-1,3,6,2-dioxazaborocane-4,8-dione CAS Name: 6-methyl-2-prop-1-ynyl-1,3,6,2-dioxazaborocane-4,8-dione IUPAC Name: 6-methyl-2-prop-1-ynyl-1,3,6,2-dioxazaborocane-4,8-dione Traditional Name: 6-methyl-2-prop-1-ynyl-1,3,6,2-dioxazaborocane-4,8-quinone Formula: C8H10BNO4 MolecularWeight: 194.9803

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Descriptors Computed from Structure

Canonical SMILES:

B1(OC(=O)CN(CC(=O)O1)C)C#CC

Isomeric SMILES

B1(OC(=O)CN(CC(=O)O1)C)C#CC

InChI

InChI=1S/C8H10BNO4/c1-3-4-9-13-7(11)5-10(2)6-8(12)14-9/h5-6H2,1-2H3