2-nitro-4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonyl]benzoic acid

Systemtic Name: 2-nitro-4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonyl]benzoic acid Openeye Name: 2-nitro-4-(1,1,4,4,7-pentamethyltetralin-6-carbonyl)benzoic acid CAS Name: 2-nitro-4-[oxo-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid IUPAC Name: 2-nitro-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid Traditional Name: 2-nitro-4-(1,1,4,4,7-pentamethyltetralin-6-carbonyl)benzoic acid Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C(=O)C3=CC(=C(C=C3)C(=O)O)[N+](=O)[O-])C(CCC2(C)C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1C(=O)C3=CC(=C(C=C3)C(=O)O)[N+](=O)[O-])C(CCC2(C)C)(C)C

InChI

InChI=1S/C23H25NO5/c1-13-10-17-18(23(4,5)9-8-22(17,2)3)12-16(13)20(25)14-6-7-15(21(26)27)19(11-14)24(28)29/h6-7,10-12H,8-9H2,1-5H3,(H,26,27)