(3-oxidanylidenecyclohexen-1-yl) 2-chloranyl-4-ethylsulfonyl-3-(2-oxidanylidenepropoxy)benzoate

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 2-chloranyl-4-ethylsulfonyl-3-(2-oxidanylidenepropoxy)benzoate Openeye Name: (3-oxocyclohexen-1-yl) 3-acetonyloxy-2-chloro-4-ethylsulfonyl-benzoate CAS Name: 2-chloro-4-ethylsulfonyl-3-(2-oxopropoxy)benzoic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 2-chloro-4-ethylsulfonyl-3-(2-oxopropoxy)benzoate Traditional Name: 3-acetonyloxy-2-chloro-4-esyl-benzoic acid (3-ketocyclohexen-1-yl) ester Formula: C18H19ClO7S MolecularWeight: 414.85726

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)OC2=CC(=O)CCC2)Cl)OCC(=O)C

Isomeric SMILES

CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)OC2=CC(=O)CCC2)Cl)OCC(=O)C

InChI

InChI=1S/C18H19ClO7S/c1-3-27(23,24)15-8-7-14(16(19)17(15)25-10-11(2)20)18(22)26-13-6-4-5-12(21)9-13/h7-9H,3-6,10H2,1-2H3