ethyl 5-chloranyl-3,3-dimethyl-5-phenylsulfanyl-pentanoate

Systemtic Name: ethyl 5-chloranyl-3,3-dimethyl-5-phenylsulfanyl-pentanoate Openeye Name: ethyl 5-chloro-3,3-dimethyl-5-phenylsulfanyl-pentanoate CAS Name: 5-chloro-3,3-dimethyl-5-(phenylthio)pentanoic acid ethyl ester IUPAC Name: ethyl 5-chloro-3,3-dimethyl-5-phenylsulfanylpentanoate Traditional Name: 5-chloro-3,3-dimethyl-5-(phenylthio)valeric acid ethyl ester Formula: C15H21ClO2S MolecularWeight: 300.84404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)(C)CC(SC1=CC=CC=C1)Cl

Isomeric SMILES

CCOC(=O)CC(C)(C)CC(SC1=CC=CC=C1)Cl

InChI

InChI=1S/C15H21ClO2S/c1-4-18-14(17)11-15(2,3)10-13(16)19-12-8-6-5-7-9-12/h5-9,13H,4,10-11H2,1-3H3