ethyl 7-(2-chloranyl-4-methylsulfanyl-phenyl)-7-oxidanylidene-heptanoate

Systemtic Name: ethyl 7-(2-chloranyl-4-methylsulfanyl-phenyl)-7-oxidanylidene-heptanoate Openeye Name: ethyl 7-(2-chloro-4-methylsulfanyl-phenyl)-7-oxo-heptanoate CAS Name: 7-[2-chloro-4-(methylthio)phenyl]-7-oxoheptanoic acid ethyl ester IUPAC Name: ethyl 7-(2-chloro-4-methylsulfanylphenyl)-7-oxoheptanoate Traditional Name: 7-[2-chloro-4-(methylthio)phenyl]-7-keto-enanthic acid ethyl ester Formula: C16H21ClO3S MolecularWeight: 328.85414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCC(=O)C1=C(C=C(C=C1)SC)Cl

Isomeric SMILES

CCOC(=O)CCCCCC(=O)C1=C(C=C(C=C1)SC)Cl

InChI

InChI=1S/C16H21ClO3S/c1-3-20-16(19)8-6-4-5-7-15(18)13-10-9-12(21-2)11-14(13)17/h9-11H,3-8H2,1-2H3