SH7
Summary
Name: | (3-chlorophenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate |
Formula: | C17 H11 Cl O4 |
Formal charge: | 0 |
Formula weight: | 314.72 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | (3-chlorophenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=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 |
InChIKey | InChI | 1.03 | BZDNWZYKPRTPIF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc2OC(=O)C(=Cc2c1)C(=O)Oc3cccc(Cl)c3 |
SMILES | CACTVS | 3.385 | Cc1ccc2OC(=O)C(=Cc2c1)C(=O)Oc3cccc(Cl)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)Oc3cccc(c3)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)Oc3cccc(c3)Cl |