OTAVA-FLUOR OTVD_0220_Chemical Cloud Database

OTAVA-FLUOR OTVD_0220

Basic Information
Product Name：	OTAVA-FLUOR OTVD_0220
English Synonyms：	OTAVA-FLUOR OTVD_0220
MDL Number.：	MFCD10001181
H bond acceptor：	3
H bond donor：	0
Smile：	CC[N+](CC)(CC)CCCN\1c2ccccc2S/C1=C\C(=C\c3[n+](c4ccccc4s3)C)\C.[I-].[I-]
InChi：	InChI=1S/C28H37N3S2.2HI/c1-6-31(7-2,8-3)19-13-18-30-24-15-10-12-17-26(24)33-28(30)21-22(4)20-27-29(5)23-14-9-11-16-25(23)32-27;;/h9-12,14-17,20-21H,6-8,13,18-19H2,1-5H3;2*1H/q+2;;/p-2
InChiKey：	InChIKey=XEMFTYFWPQXMDR-UHFFFAOYSA-L

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