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

Systemtic Name: 2-nitro-4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid Openeye Name: 2-nitro-4-[(1,1,4,4,7-pentamethyltetralin-6-yl)methyl]benzoic acid CAS Name: 2-nitro-4-[(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-dihydronaphthalen-2-yl)methyl]benzoic acid Traditional Name: 2-nitro-4-[(1,1,4,4,7-pentamethyltetralin-6-yl)methyl]benzoic acid Formula: C23H27NO4 MolecularWeight: 381.46478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(CCC2(C)C)(C)C)CC3=CC(=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C2C(=C1)C(CCC2(C)C)(C)C)CC3=CC(=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C23H27NO4/c1-14-10-18-19(23(4,5)9-8-22(18,2)3)13-16(14)11-15-6-7-17(21(25)26)20(12-15)24(27)28/h6-7,10,12-13H,8-9,11H2,1-5H3,(H,25,26)