S-phenyl 6-nitro-9-oxidanylidene-decanethioate

Systemtic Name: S-phenyl 6-nitro-9-oxidanylidene-decanethioate Openeye Name: S-phenyl 6-nitro-9-oxo-decanethioate CAS Name: 6-nitro-9-oxodecanethioic acid S-phenyl ester IUPAC Name: S-phenyl 6-nitro-9-oxodecanethioate Traditional Name: 9-keto-6-nitro-decanethioic acid S-phenyl ester Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(CCCCC(=O)SC1=CC=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CCC(CCCCC(=O)SC1=CC=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C16H21NO4S/c1-13(18)11-12-14(17(20)21)7-5-6-10-16(19)22-15-8-3-2-4-9-15/h2-4,8-9,14H,5-7,10-12H2,1H3