2-(6,8-ditert-butyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium-3-yl)ethanoate

Systemtic Name: 2-(6,8-ditert-butyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium-3-yl)ethanoate Openeye Name: 2-(6,8-ditert-butyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium-3-yl)acetate CAS Name: 2-(6,8-ditert-butyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium-3-yl)acetate IUPAC Name: 2-(6,8-ditert-butyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium-3-yl)acetate Traditional Name: 2-(6,8-ditert-butyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium-3-yl)acetate Formula: C18H27NO3 MolecularWeight: 305.41188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C(=C1)C[NH+](CO2)CC(=O)[O-])C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2C(=C1)C[NH+](CO2)CC(=O)[O-])C(C)(C)C

InChI

InChI=1S/C18H27NO3/c1-17(2,3)13-7-12-9-19(10-15(20)21)11-22-16(12)14(8-13)18(4,5)6/h7-8H,9-11H2,1-6H3,(H,20,21)