basic_info |
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| Product_Name: | 3-(2-HYDROXY-JULOLIDIN-4-YL)-5-(1,4-DIHYDRO-2-HYDROXY-JULOLIDIN-4-YLIDENE-ONIUM)-1,2-DIOXO-CYCLOPENTEN-4-OLATE |
| CAS: | 150981-08-1 |
| EnglishSynonyms: | 3-(2-HYDROXY-JULOLIDIN-4-YL)-5-(1,4-DIHYDRO-2-HYDROXY-JULOLIDIN-4-YLIDENE-ONIUM)-1,2-DIOXO-CYCLOPENTEN-4-OLATE |
| pro_mdlNumber: | MFCD00799308 |
| pro_acceptors: | 7 |
| pro_donors: | 2 |
| pro_smile: | C1CN2CC=CC3=C2C(=C1C4=C(/C(=C/5\CC=[N+]6C=CCC7=C6C5CC(C7)O)/C(=O)C4=O)[O-])CC(C3)O |
| InChi: | InChI=1S/C29H28N2O5/c32-17-11-15-3-1-7-30-9-5-19(21(13-17)25(15)30)23-27(34)24(29(36)28(23)35)20-6-10-31-8-2-4-16-12-18(33)14-22(20)26(16)31/h1-3,8,10,17-18,22,32-33H,4-7,9,11-14H2/b24-20- |
| InChiKey: | InChIKey=BHXRCBYOJFOVOS-GFMRDNFCSA-N |
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