3-(6-methyl-1,3,6,2-dioxazaborocan-2-yl)benzenesulfinic acid

Systemtic Name: 3-(6-methyl-1,3,6,2-dioxazaborocan-2-yl)benzenesulfinic acid Openeye Name: 3-(6-methyl-1,3,6,2-dioxazaborocan-2-yl)benzenesulfinic acid CAS Name: 3-(6-methyl-1,3,6,2-dioxazaborocan-2-yl)benzenesulfinic acid IUPAC Name: 3-(6-methyl-1,3,6,2-dioxazaborocan-2-yl)benzenesulfinic acid Traditional Name: 3-(6-methyl-1,3,6,2-dioxazaborocan-2-yl)benzenesulfinic acid Formula: C11H16BNO4S MolecularWeight: 269.12504

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Descriptors Computed from Structure

Canonical SMILES:

B1(OCCN(CCO1)C)C2=CC(=CC=C2)S(=O)O

Isomeric SMILES

B1(OCCN(CCO1)C)C2=CC(=CC=C2)S(=O)O

InChI

InChI=1S/C11H16BNO4S/c1-13-5-7-16-12(17-8-6-13)10-3-2-4-11(9-10)18(14)15/h2-4,9H,5-8H2,1H3,(H,14,15)