[(1R)-2-[(1'R,4'aR,8'aR)-1',4'a-dimethyl-2'-methylidene-spiro[1,3-dioxolane-2,5'-3,4,6,7,8,8a-hexahydronaphthalene]-1'-yl]-1-(furan-3-yl)ethyl] 4-nitrobenzoate

Systemtic Name: [(1R)-2-[(1'R,4'aR,8'aR)-1',4'a-dimethyl-2'-methylidene-spiro[1,3-dioxolane-2,5'-3,4,6,7,8,8a-hexahydronaphthalene]-1'-yl]-1-(furan-3-yl)ethyl] 4-nitrobenzoate Openeye Name: [(1R)-2-[(1'R,4'aR,8'aR)-1',4'a-dimethyl-2'-methylene-spiro[1,3-dioxolane-2,5'-decalin]-1'-yl]-1-(3-furyl)ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1R)-2-[(1'R,4'aR,8'aR)-1',4'a-dimethyl-2'-methylene-1'-spiro[1,3-dioxolane-2,5'-3,4,6,7,8,8a-hexahydronaphthalene]yl]-1-(3-furanyl)ethyl] ester IUPAC Name: [(1R)-2-[(1'R,4'aR,8'aR)-1',4'a-dimethyl-2'-methylidenespiro[1,3-dioxolane-2,5'-3,4,6,7,8,8a-hexahydronaphthalene]-1'-yl]-1-(furan-3-yl)ethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R)-2-[(1'R,4'aR,8'aR)-1',4'a-dimethyl-2'-methylene-spiro[1,3-dioxolane-2,5'-decalin]-1'-yl]-1-(3-furyl)ethyl] ester Formula: C28H33NO7 MolecularWeight: 495.56412

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=C)C(C1CCCC23OCCO3)(C)CC(C4=COC=C4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C[C@@]12CCC(=C)[C@]([C@H]1CCCC23OCCO3)(C)C[C@H](C4=COC=C4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H33NO7/c1-19-10-13-27(3)24(5-4-12-28(27)34-15-16-35-28)26(19,2)17-23(21-11-14-33-18-21)36-25(30)20-6-8-22(9-7-20)29(31)32/h6-9,11,14,18,23-24H,1,4-5,10,12-13,15-17H2,2-3H3/t23-,24-,26+,27-/m1/s1