[3-chloranyl-4-(3-cyclopropyl-3-oxidanylidene-propanoyl)phenyl] methanesulfonate

Systemtic Name: [3-chloranyl-4-(3-cyclopropyl-3-oxidanylidene-propanoyl)phenyl] methanesulfonate Openeye Name: [3-chloro-4-(3-cyclopropyl-3-oxo-propanoyl)phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-chloro-4-(3-cyclopropyl-1,3-dioxopropyl)phenyl] ester IUPAC Name: [3-chloro-4-(3-cyclopropyl-3-oxopropanoyl)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-chloro-4-(3-cyclopropyl-3-keto-propanoyl)phenyl] ester Formula: C13H13ClO5S MolecularWeight: 316.75732

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC(=C(C=C1)C(=O)CC(=O)C2CC2)Cl

Isomeric SMILES

CS(=O)(=O)OC1=CC(=C(C=C1)C(=O)CC(=O)C2CC2)Cl

InChI

InChI=1S/C13H13ClO5S/c1-20(17,18)19-9-4-5-10(11(14)6-9)13(16)7-12(15)8-2-3-8/h4-6,8H,2-3,7H2,1H3