[2-(2-chloranyl-4,6-dimethyl-phenyl)-3-oxidanylidene-5,6,7,8-tetrahydropyrrolizin-1-yl] methanesulfonate

Systemtic Name: [2-(2-chloranyl-4,6-dimethyl-phenyl)-3-oxidanylidene-5,6,7,8-tetrahydropyrrolizin-1-yl] methanesulfonate Openeye Name: [2-(2-chloro-4,6-dimethyl-phenyl)-3-oxo-5,6,7,8-tetrahydropyrrolizin-1-yl] methanesulfonate CAS Name: methanesulfonic acid [2-(2-chloro-4,6-dimethylphenyl)-3-oxo-5,6,7,8-tetrahydropyrrolizin-1-yl] ester IUPAC Name: [2-(2-chloro-4,6-dimethylphenyl)-3-oxo-5,6,7,8-tetrahydropyrrolizin-1-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-(2-chloro-4,6-dimethyl-phenyl)-3-keto-5,6,7,8-tetrahydropyrrolizin-1-yl] ester Formula: C16H18ClNO4S MolecularWeight: 355.83642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)C2=C(C3CCCN3C2=O)OS(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)C2=C(C3CCCN3C2=O)OS(=O)(=O)C)C

InChI

InChI=1S/C16H18ClNO4S/c1-9-7-10(2)13(11(17)8-9)14-15(22-23(3,20)21)12-5-4-6-18(12)16(14)19/h7-8,12H,4-6H2,1-3H3