1-[2-(4,4-dimethylpentan-2-yl)-5,7-diethyl-7-methyl-nonoxy]-2-nitro-benzene

Systemtic Name: 1-[2-(4,4-dimethylpentan-2-yl)-5,7-diethyl-7-methyl-nonoxy]-2-nitro-benzene Openeye Name: 1-[5,7-diethyl-7-methyl-2-(1,3,3-trimethylbutyl)nonoxy]-2-nitro-benzene CAS Name: 1-[2-(4,4-dimethylpentan-2-yl)-5,7-diethyl-7-methylnonoxy]-2-nitrobenzene IUPAC Name: 1-[2-(4,4-dimethylpentan-2-yl)-5,7-diethyl-7-methylnonoxy]-2-nitrobenzene Traditional Name: 1-[5,7-diethyl-7-methyl-2-(1,3,3-trimethylbutyl)nonoxy]-2-nitro-benzene Formula: C27H47NO3 MolecularWeight: 433.66698

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(COC1=CC=CC=C1[N+](=O)[O-])C(C)CC(C)(C)C)CC(C)(CC)CC

Isomeric SMILES

CCC(CCC(COC1=CC=CC=C1[N+](=O)[O-])C(C)CC(C)(C)C)CC(C)(CC)CC

InChI

InChI=1S/C27H47NO3/c1-9-22(19-27(8,10-2)11-3)16-17-23(21(4)18-26(5,6)7)20-31-25-15-13-12-14-24(25)28(29)30/h12-15,21-23H,9-11,16-20H2,1-8H3