Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CCc2c(O)cc1OC(=O)C=C(c1c2)c3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C18H14O5/c19-15-10-16-14(8-12(15)6-7-17(20)21)13(9-18(22)23-16)11-4-2-1-3-5-11/h1-5,8-10,19H,6-7H2,(H,20,21) |
InChIKey | InChI | 1.03 | ANHFSWPHLAPWBN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCc1cc2c(OC(=O)C=C2c3ccccc3)cc1O |
SMILES | CACTVS | 3.385 | OC(=O)CCc1cc2c(OC(=O)C=C2c3ccccc3)cc1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)CCC(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)CCC(=O)O |