S-tert-butyl 6-nitro-3-oxidanyl-heptanethioate

Systemtic Name: S-tert-butyl 6-nitro-3-oxidanyl-heptanethioate Openeye Name: S-tert-butyl 3-hydroxy-6-nitro-heptanethioate CAS Name: 3-hydroxy-6-nitroheptanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 3-hydroxy-6-nitroheptanethioate Traditional Name: 3-hydroxy-6-nitro-heptanethioic acid S-tert-butyl ester Formula: C11H21NO4S MolecularWeight: 263.35374

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(CC(=O)SC(C)(C)C)O)[N+](=O)[O-]

Isomeric SMILES

CC(CCC(CC(=O)SC(C)(C)C)O)[N+](=O)[O-]

InChI

InChI=1S/C11H21NO4S/c1-8(12(15)16)5-6-9(13)7-10(14)17-11(2,3)4/h8-9,13H,5-7H2,1-4H3