Molecular Structure:
CCD No.:CCD00166458
VAT YELLOW 33
CAS No.:
12227-50-8
Formula:C54 H32 N4 O6
MolWeight:832.869
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| Product Name： | VAT YELLOW 33 |
| CAS： | 12227-50-8 |
| English Synonyms： | CI VAT YELLOW 33 ; VAT YELLOW 33 |
| MDL Number.： | MFCD00800446 |
| H bond acceptor： | 10 |
| H bond donor： | 2 |
| Smile： | c1ccc2c(c1)C(=O)c3cccc(c3C2=O)NC(=O)c4ccc(cc4)c5ccc(cc5)/N=N/c6ccc(cc6)c7ccc(cc7)C(=O)Nc8cccc9c8C(=O)c1ccccc1C9=O |
| InChi： | InChI=1S/C54H32N4O6/c59-49-39-7-1-3-9-41(39)51(61)47-43(49)11-5-13-45(47)55-53(63)35-19-15-31(16-20-35)33-23-27-37(28-24-33)57-58-38-29-25-34(26-30-38)32-17-21-36(22-18-32)54(64)56-46-14-6-12-44-48(46)52(62)42-10-4-2-8-40(42)50(44)60/h1-30H,(H,55,63)(H,56,64)/b58-57+ |
| InChiKey： | InChIKey=AJDUTMFFZHIJEM-UPRQXYPZSA-N |
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