(6-tert-butyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl) 4-nitrobenzoate

Systemtic Name: (6-tert-butyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl) 4-nitrobenzoate Openeye Name: (6-tert-butyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (6-tert-butyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl) ester IUPAC Name: (6-tert-butyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (6-tert-butyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl) ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(CCCC2C1)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1CCC2=C(CCCC2C1)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H27NO4/c1-21(2,3)16-9-12-18-15(13-16)5-4-6-19(18)26-20(23)14-7-10-17(11-8-14)22(24)25/h7-8,10-11,15-16H,4-6,9,12-13H2,1-3H3