SH7

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Summary

Name:(3-chlorophenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate
Formula:C17 H11 Cl O4
Formal charge:0
Molecular weight:314.72 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(3-chlorophenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C17H11ClO4/c1-10-5-6-15-11(7-10)8-14(17(20)22-15)16(19)21-13-4-2-3-12(18)9-13/h2-9H,1H3
InChIKeyInChI1.03BZDNWZYKPRTPIF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc2OC(=O)C(=Cc2c1)C(=O)Oc3cccc(Cl)c3
SMILESCACTVS3.385Cc1ccc2OC(=O)C(=Cc2c1)C(=O)Oc3cccc(Cl)c3
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)Oc3cccc(c3)Cl
SMILESOpenEye OEToolkits2.0.7Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)Oc3cccc(c3)Cl