ethyl 7-(4-nitrophenyl)sulfanyl-7-oxidanylidene-heptanoate

Systemtic Name: ethyl 7-(4-nitrophenyl)sulfanyl-7-oxidanylidene-heptanoate Openeye Name: ethyl 7-(4-nitrophenyl)sulfanyl-7-oxo-heptanoate CAS Name: 7-[(4-nitrophenyl)thio]-7-oxoheptanoic acid ethyl ester IUPAC Name: ethyl 7-(4-nitrophenyl)sulfanyl-7-oxoheptanoate Traditional Name: 7-keto-7-[(4-nitrophenyl)thio]enanthic acid ethyl ester Formula: C15H19NO5S MolecularWeight: 325.38006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCC(=O)SC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCCCCC(=O)SC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C15H19NO5S/c1-2-21-14(17)6-4-3-5-7-15(18)22-13-10-8-12(9-11-13)16(19)20/h8-11H,2-7H2,1H3