ADAROTENE ,496868-77-0 _Chemical Cloud Database

ADAROTENE

Basic Information
Product Name：	ADAROTENE
CAS：	496868-77-0
English Synonyms：	(2E)-3-(4-[3-(ADAMANTAN-1-YL)-4-HYDROXYPHENYL]PHENYL)PROP-2-ENOIC ACID ; ADAROTENE
MDL Number.：	MFCD05861282
H bond acceptor：	3
H bond donor：	2
Smile：	c1cc(ccc1/C=C/C(=O)O)c2ccc(c(c2)[C@]34C[C@@H]5C[C@H](C3)C[C@@H](C5)C4)O
InChi：	InChI=1S/C25H26O3/c26-23-7-6-21(20-4-1-16(2-5-20)3-8-24(27)28)12-22(23)25-13-17-9-18(14-25)11-19(10-17)15-25/h1-8,12,17-19,26H,9-11,13-15H2,(H,27,28)/b8-3+/t17-,18+,19-,25-
InChiKey：	InChIKey=QAWBIEIZDDIEMW-SOKLTXMDSA-N

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