[(1S)-2-butoxy-1-[(2R,3S)-4-methylidene-2-octyl-5-oxidanylidene-oxolan-3-yl]-2-oxidanylidene-ethyl] 4-nitrobenzoate

Systemtic Name: [(1S)-2-butoxy-1-[(2R,3S)-4-methylidene-2-octyl-5-oxidanylidene-oxolan-3-yl]-2-oxidanylidene-ethyl] 4-nitrobenzoate Openeye Name: [(1S)-2-butoxy-1-[(2R,3S)-4-methylene-2-octyl-5-oxo-tetrahydrofuran-3-yl]-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S)-2-butoxy-1-[(2R,3S)-4-methylene-2-octyl-5-oxo-3-oxolanyl]-2-oxoethyl] ester IUPAC Name: [(1S)-2-butoxy-1-[(2R,3S)-4-methylidene-2-octyl-5-oxooxolan-3-yl]-2-oxoethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S)-2-butoxy-2-keto-1-[(2R,3S)-5-keto-4-methylene-2-octyl-tetrahydrofuran-3-yl]ethyl] ester Formula: C26H35NO8 MolecularWeight: 489.558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(C(=C)C(=O)O1)C(C(=O)OCCCC)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC[C@@H]1[C@H](C(=C)C(=O)O1)[C@@H](C(=O)OCCCC)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C26H35NO8/c1-4-6-8-9-10-11-12-21-22(18(3)24(28)34-21)23(26(30)33-17-7-5-2)35-25(29)19-13-15-20(16-14-19)27(31)32/h13-16,21-23H,3-12,17H2,1-2H3/t21-,22+,23+/m1/s1