methyl (2S)-4-methyl-2-[3-(4-nitrophenyl)sulfonyloxy-4-oxidanylidene-pentanoyl]oxy-pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[3-(4-nitrophenyl)sulfonyloxy-4-oxidanylidene-pentanoyl]oxy-pentanoate Openeye Name: methyl (2S)-4-methyl-2-[3-(4-nitrophenyl)sulfonyloxy-4-oxo-pentanoyl]oxy-pentanoate CAS Name: (2S)-4-methyl-2-[3-(4-nitrophenyl)sulfonyloxy-1,4-dioxopentoxy]pentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-[3-(4-nitrophenyl)sulfonyloxy-4-oxopentanoyl]oxypentanoate Traditional Name: (2S)-2-(4-keto-3-nosyloxy-pentanoyl)oxy-4-methyl-valeric acid methyl ester Formula: C18H23NO10S MolecularWeight: 445.44092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)OC(=O)CC(C(=O)C)OS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)OC(=O)CC(C(=O)C)OS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C18H23NO10S/c1-11(2)9-16(18(22)27-4)28-17(21)10-15(12(3)20)29-30(25,26)14-7-5-13(6-8-14)19(23)24/h5-8,11,15-16H,9-10H2,1-4H3/t15?,16-/m0/s1