Molecular Structure:
CCD No.:CCD00042977
LABOTEST-BB LT00454368
Formula:C21 H17 O5 S . Na
MolWeight:404.416
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| Product Name： | LABOTEST-BB LT00454368 |
| English Synonyms： | LABOTEST-BB LT00454368 |
| MDL Number.： | MFCD00064787 |
| H bond acceptor： | 5 |
| H bond donor： | 1 |
| Smile： | Cc1cc(ccc1/C(=C/2\C=CC(=O)C=C2C)/c3ccccc3S(=O)(=O)[O-])O.[Na+] |
| InChi： | InChI=1S/C21H18O5S.Na/c1-13-11-15(22)7-9-17(13)21(18-10-8-16(23)12-14(18)2)19-5-3-4-6-20(19)27(24,25)26;/h3-12,22H,1-2H3,(H,24,25,26);/q;+1/p-1/b21-18-; |
| InChiKey： | InChIKey=BYQJYOOKENJSNK-WIPIHYDQSA-M |
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