[6-(2,2-dimethylpropanoyloxy)-4-methyl-4-oxidanyl-hex-2-ynyl] 4-nitrobenzoate

Systemtic Name: [6-(2,2-dimethylpropanoyloxy)-4-methyl-4-oxidanyl-hex-2-ynyl] 4-nitrobenzoate Openeye Name: [6-(2,2-dimethylpropanoyloxy)-4-hydroxy-4-methyl-hex-2-ynyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [6-(2,2-dimethyl-1-oxopropoxy)-4-hydroxy-4-methylhex-2-ynyl] ester IUPAC Name: [6-(2,2-dimethylpropanoyloxy)-4-hydroxy-4-methylhex-2-ynyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (4-hydroxy-4-methyl-6-pivaloyloxy-hex-2-ynyl) ester Formula: C19H23NO7 MolecularWeight: 377.38842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCCC(C)(C#CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)C(=O)OCCC(C)(C#CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-])O

InChI

InChI=1S/C19H23NO7/c1-18(2,3)17(22)27-13-11-19(4,23)10-5-12-26-16(21)14-6-8-15(9-7-14)20(24)25/h6-9,23H,11-13H2,1-4H3