A0O
Summary
Name: | 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one |
Formula: | C15 H16 O3 |
Formal charge: | 0 |
Formula weight: | 244.286 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3 |
InChIKey | InChI | 1.03 | MBRLOUHOWLUMFF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2C=CC(=O)Oc2c1CC=C(C)C |
SMILES | CACTVS | 3.385 | COc1ccc2C=CC(=O)Oc2c1CC=C(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=CCc1c(ccc2c1OC(=O)C=C2)OC)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(=CCc1c(ccc2c1OC(=O)C=C2)OC)C |