(2,3,5,6-tetramethyl-4-oxidanylidene-1-phenylsulfanyl-cyclohexa-2,5-dien-1-yl) 2-chloranylethanoate

Systemtic Name: (2,3,5,6-tetramethyl-4-oxidanylidene-1-phenylsulfanyl-cyclohexa-2,5-dien-1-yl) 2-chloranylethanoate Openeye Name: (2,3,5,6-tetramethyl-4-oxo-1-phenylsulfanyl-cyclohexa-2,5-dien-1-yl) 2-chloroacetate CAS Name: 2-chloroacetic acid [2,3,5,6-tetramethyl-4-oxo-1-(phenylthio)-1-cyclohexa-2,5-dienyl] ester IUPAC Name: (2,3,5,6-tetramethyl-4-oxo-1-phenylsulfanylcyclohexa-2,5-dien-1-yl) 2-chloroacetate Traditional Name: 2-chloroacetic acid [4-keto-2,3,5,6-tetramethyl-1-(phenylthio)cyclohexa-2,5-dien-1-yl] ester Formula: C18H19ClO3S MolecularWeight: 350.85966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(C1=O)C)C)(OC(=O)CCl)SC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C(C(=C(C1=O)C)C)(OC(=O)CCl)SC2=CC=CC=C2)C

InChI

InChI=1S/C18H19ClO3S/c1-11-13(3)18(22-16(20)10-19,14(4)12(2)17(11)21)23-15-8-6-5-7-9-15/h5-9H,10H2,1-4H3