[(E)-3-methyl-6-[(2R,5R)-2-methyl-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]-6-oxidanylidene-hex-2-enyl] 4-nitrobenzoate

Systemtic Name: [(E)-3-methyl-6-[(2R,5R)-2-methyl-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]-6-oxidanylidene-hex-2-enyl] 4-nitrobenzoate Openeye Name: [(E)-6-[(2R,5R)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-2-yl]-3-methyl-6-oxo-hex-2-enyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(E)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyl-2-oxolanyl]-3-methyl-6-oxohex-2-enyl] ester IUPAC Name: [(E)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methyl-6-oxohex-2-enyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(E)-6-[(2R,5R)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-2-yl]-6-keto-3-methyl-hex-2-enyl] ester Formula: C22H29NO7 MolecularWeight: 419.46816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-])CCC(=O)C2(CCC(O2)C(C)(C)O)C

Isomeric SMILES

C/C(=C\COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])/CCC(=O)[C@]2(CC[C@@H](O2)C(C)(C)O)C

InChI

InChI=1S/C22H29NO7/c1-15(5-10-18(24)22(4)13-11-19(30-22)21(2,3)26)12-14-29-20(25)16-6-8-17(9-7-16)23(27)28/h6-9,12,19,26H,5,10-11,13-14H2,1-4H3/b15-12+/t19-,22-/m1/s1