90R
Summary
Name: | 5-hydroxy-2-methylnaphthalene-1,4-dione |
Synonyms: | plumbagin |
Formula: | C11 H8 O3 |
Formal charge: | 0 |
Formula weight: | 188.179 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 5-hydroxy-2-methylnaphthalene-1,4-dione |
OpenEye OEToolkits | 2.0.6 | 2-methyl-5-oxidanyl-naphthalene-1,4-dione |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2c1c(cccc1O)C(C(C)=C2)=O |
InChI | InChI | 1.03 | InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3 |
InChIKey | InChI | 1.03 | VCMMXZQDRFWYSE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1=CC(=O)c2c(O)cccc2C1=O |
SMILES | CACTVS | 3.385 | CC1=CC(=O)c2c(O)cccc2C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1=CC(=O)c2c(cccc2O)C1=O |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1=CC(=O)c2c(cccc2O)C1=O |