ZGR
Summary
| Name: | 2,4-dihydroxy-6-[(1E,10S)-10-hydroxy-6-oxoundec-1-en-1-yl]benzoic acid |
| Formula: | C18 H24 O6 |
| Formal charge: | 0 |
| Formula weight: | 336.38 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,4-dihydroxy-6-[(1E,10S)-10-hydroxy-6-oxoundec-1-en-1-yl]benzoic acid |
| OpenEye OEToolkits | 1.9.2 | 2,4-bis(oxidanyl)-6-[(E,10S)-10-oxidanyl-6-oxidanylidene-undec-1-enyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(C(=O)O)c(O)cc(cc1\C=C\CCCC(=O)CCCC(C)O)O |
| InChI | InChI | 1.03 | InChI=1S/C18H24O6/c1-12(19)6-5-9-14(20)8-4-2-3-7-13-10-15(21)11-16(22)17(13)18(23)24/h3,7,10-12,19,21-22H,2,4-6,8-9H2,1H3,(H,23,24)/b7-3+/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | KZABMNZGZHPCFB-QBODLPLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](O)CCCC(=O)CCC\C=C\c1cc(O)cc(O)c1C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](O)CCCC(=O)CCCC=Cc1cc(O)cc(O)c1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@@H](CCCC(=O)CCC/C=C/c1cc(cc(c1C(=O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(CCCC(=O)CCCC=Cc1cc(cc(c1C(=O)O)O)O)O |
