SDN
Summary
| Name: | [(3S)-9-hydroxy-1-methyl-10-oxo-4,10-dihydro-3H-benzo[g]isochromen-3-yl]acetic acid |
| Synonyms: | 4,10-dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho-[2,3-c]-pyran-3-(S)-acetic acid |
| Formula: | C16 H14 O5 |
| Formal charge: | 0 |
| Formula weight: | 286.279 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(3S)-9-hydroxy-1-methyl-10-oxo-4,10-dihydro-3H-benzo[g]isochromen-3-yl]acetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-[(3S)-9-hydroxy-1-methyl-10-oxo-3,4-dihydrobenzo[g]isochromen-3-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2c1c(O)cccc1C=C3C2=C(OC(C3)CC(=O)O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1=C2C(=Cc3cccc(O)c3C2=O)C[C@@H](CC(O)=O)O1 |
| SMILES | CACTVS | 3.341 | CC1=C2C(=Cc3cccc(O)c3C2=O)C[CH](CC(O)=O)O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=C2C(=Cc3cccc(c3C2=O)O)C[C@H](O1)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1=C2C(=Cc3cccc(c3C2=O)O)CC(O1)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C16H14O5/c1-8-14-10(6-11(21-8)7-13(18)19)5-9-3-2-4-12(17)15(9)16(14)20/h2-5,11,17H,6-7H2,1H3,(H,18,19)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | HHXSOTFPYPQSBU-NSHDSACASA-N |
