[2,6-di(propan-2-yl)phenyl] 2-nitrohexanoate

Systemtic Name: [2,6-di(propan-2-yl)phenyl] 2-nitrohexanoate Openeye Name: (2,6-diisopropylphenyl) 2-nitrohexanoate CAS Name: 2-nitrohexanoic acid [2,6-di(propan-2-yl)phenyl] ester IUPAC Name: [2,6-di(propan-2-yl)phenyl] 2-nitrohexanoate Traditional Name: 2-nitrohexanoic acid (2,6-diisopropylphenyl) ester Formula: C18H27NO4 MolecularWeight: 321.41128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC1=C(C=CC=C1C(C)C)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC(C(=O)OC1=C(C=CC=C1C(C)C)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H27NO4/c1-6-7-11-16(19(21)22)18(20)23-17-14(12(2)3)9-8-10-15(17)13(4)5/h8-10,12-13,16H,6-7,11H2,1-5H3