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

Systemtic Name: (8a-methyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-yl) 4-nitrobenzoate Openeye Name: (8a-methyldecalin-4a-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (8a-methyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-yl) ester IUPAC Name: (8a-methyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (8a-methyldecalin-4a-yl) ester Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCCC1(CCCC2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC12CCCCC1(CCCC2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H23NO4/c1-17-10-2-4-12-18(17,13-5-3-11-17)23-16(20)14-6-8-15(9-7-14)19(21)22/h6-9H,2-5,10-13H2,1H3