6-(4,4-DIMETHYL-THIOCHROMAN-6-YLETHYNYL)-NICOTINIC ACID

CAS No.
118292-41-4
CCD No.
CCD00178448
Formula
C19 H17 N O2 S
MolWeight
323.414

Basic Information

Product Name: 6-(4,4-DIMETHYL-THIOCHROMAN-6-YLETHYNYL)-NICOTINIC ACID
CAS: 118292-41-4
English Synonyms: 6-(4,4-DIMETHYL-THIOCHROMAN-6-YLETHYNYL)-NICOTINIC ACID ; TAZAROTENIC ACID ; 6-[2-(3,4-DIHYDRO-4,4-DIMETHYL-2H-1-BENZOTHIOPYRAN-6-YL)ETHYNYL]-3-PYRIDINE CARBOXYLIC ACID
MDL Number.: MFCD00872121
H bond acceptor: 3
H bond donor: 1
Smile: CC1(CCSc2c1cc(cc2)C#Cc3ccc(cn3)C(=O)O)C
InChi: InChI=1S/C19H17NO2S/c1-19(2)9-10-23-17-8-4-13(11-16(17)19)3-6-15-7-5-14(12-20-15)18(21)22/h4-5,7-8,11-12H,9-10H2,1-2H3,(H,21,22)
InChiKey: InChIKey=IQIBKLWBVJPOQO-UHFFFAOYSA-N

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