6,6-dimethyl-2-(4-nitrophenyl)-5-oxidanylidene-3-(4-propan-2-ylphenyl)heptanoic acid

Systemtic Name: 6,6-dimethyl-2-(4-nitrophenyl)-5-oxidanylidene-3-(4-propan-2-ylphenyl)heptanoic acid Openeye Name: 3-(4-isopropylphenyl)-6,6-dimethyl-2-(4-nitrophenyl)-5-oxo-heptanoic acid CAS Name: 6,6-dimethyl-2-(4-nitrophenyl)-5-oxo-3-(4-propan-2-ylphenyl)heptanoic acid IUPAC Name: 6,6-dimethyl-2-(4-nitrophenyl)-5-oxo-3-(4-propan-2-ylphenyl)heptanoic acid Traditional Name: 5-keto-6,6-dimethyl-2-(4-nitrophenyl)-3-p-cumenyl-enanthic acid Formula: C24H29NO5 MolecularWeight: 411.49076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(CC(=O)C(C)(C)C)C(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(CC(=O)C(C)(C)C)C(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C24H29NO5/c1-15(2)16-6-8-17(9-7-16)20(14-21(26)24(3,4)5)22(23(27)28)18-10-12-19(13-11-18)25(29)30/h6-13,15,20,22H,14H2,1-5H3,(H,27,28)