[(2S,6R)-4-[(1R)-1-oxidanyldecyl]-5-oxidanylidene-2-propan-2-yloxy-2H-pyran-6-yl]methyl 4-nitrobenzoate

Systemtic Name: [(2S,6R)-4-[(1R)-1-oxidanyldecyl]-5-oxidanylidene-2-propan-2-yloxy-2H-pyran-6-yl]methyl 4-nitrobenzoate Openeye Name: [(2S,6R)-4-[(1R)-1-hydroxydecyl]-2-isopropoxy-5-oxo-2H-pyran-6-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S,6R)-4-[(1R)-1-hydroxydecyl]-5-oxo-2-propan-2-yloxy-2H-pyran-6-yl]methyl ester IUPAC Name: [(2S,6R)-4-[(1R)-1-hydroxydecyl]-5-oxo-2-propan-2-yloxy-2H-pyran-6-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S,6R)-4-[(1R)-1-hydroxydecyl]-2-isopropoxy-5-keto-2H-pyran-6-yl]methyl ester Formula: C26H37NO8 MolecularWeight: 491.57388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C1=CC(OC(C1=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(C)C)O

Isomeric SMILES

CCCCCCCCC[C@H](C1=C[C@H](O[C@@H](C1=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(C)C)O

InChI

InChI=1S/C26H37NO8/c1-4-5-6-7-8-9-10-11-22(28)21-16-24(34-18(2)3)35-23(25(21)29)17-33-26(30)19-12-14-20(15-13-19)27(31)32/h12-16,18,22-24,28H,4-11,17H2,1-3H3/t22-,23-,24+/m1/s1