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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1C(=O)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=C(C=C1C(=O)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C)[N+](=O)[O-]

InChI

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