N9B
Summary
| Name: | 1,2,3,9-tetramethoxy-6-methylidene-5~{H}-cyclohepta[a]naphthalen-8-one |
| Formula: | C20 H20 O5 |
| Formal charge: | 0 |
| Formula weight: | 340.37 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1,2,3,9-tetramethoxy-6-methylidene-5~{H}-cyclohepta[a]naphthalen-8-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H20O5/c1-11-8-12-9-17(23-3)19(24-4)20(25-5)18(12)13-6-7-16(22-2)15(21)10-14(11)13/h6-7,9-10H,1,8H2,2-5H3 |
| InChIKey | InChI | 1.03 | LWZCIQWVGDAJGE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC1=CC=C2C(=CC1=O)C(=C)Cc3cc(OC)c(OC)c(OC)c23 |
| SMILES | CACTVS | 3.385 | COC1=CC=C2C(=CC1=O)C(=C)Cc3cc(OC)c(OC)c(OC)c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc2c(c(c1OC)OC)C3=CC=C(C(=O)C=C3C(=C)C2)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc2c(c(c1OC)OC)C3=CC=C(C(=O)C=C3C(=C)C2)OC |
