O1-tert-butyl O4-ethyl 2-(3-methylbutanoyl)-2-(4-nitrophenyl)sulfonyloxy-butanedioate

Systemtic Name: O1-tert-butyl O4-ethyl 2-(3-methylbutanoyl)-2-(4-nitrophenyl)sulfonyloxy-butanedioate Openeye Name: O1-tert-butyl O4-ethyl 2-(3-methylbutanoyl)-2-(4-nitrophenyl)sulfonyloxy-butanedioate CAS Name: 2-(3-methyl-1-oxobutyl)-2-(4-nitrophenyl)sulfonyloxybutanedioic acid O1-tert-butyl ester O4-ethyl ester IUPAC Name: 1-O-tert-butyl 4-O-ethyl 2-(3-methylbutanoyl)-2-(4-nitrophenyl)sulfonyloxybutanedioate Traditional Name: 2-isovaleryl-2-nosyloxy-succinic acid O1-tert-butyl ester O4-ethyl ester Formula: C21H29NO10S MolecularWeight: 487.52066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO10S/c1-7-30-18(24)13-21(17(23)12-14(2)3,19(25)31-20(4,5)6)32-33(28,29)16-10-8-15(9-11-16)22(26)27/h8-11,14H,7,12-13H2,1-6H3