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Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 8 results

Search term: PGLCKEFYXCGUGA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
29272097

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C39H44ClNO9/c1-20-11-9-7-8-10-12-30(45)41-34-33(40)39(50)31-27(38(34)49)18-25(6)37(48)32(31)36(47)24(5)17-23(4)35(46)22(3)14-16-26(42)15-13-21(2)29(44)19-28(20)43/h7-14,16-18,20,22-23,26,28,35,42-43,46,48H,15,19H2,1-6H3,(H,41,45)/b8-7+,11-9-,12-10-,16-14+,21-13+,24-17+/t20-,22-,23-,26-,28-,35-/m0/s1
C39H44ClNO9706.2215600
57260935

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C39H44ClNO9/c1-20-11-9-7-8-10-12-30(45)41-34-33(40)39(50)31-27(38(34)49)18-25(6)37(48)32(31)36(47)24(5)17-23(4)35(46)22(3)14-16-26(42)15-13-21(2)29(44)19-28(20)43/h7-14,16-18,20,22-23,26,28,35,42-43,46,48H,15,19H2,1-6H3,(H,41,45)/b8-7-,11-9-,12-10-,16-14-,21-13-,24-17-/t20-,22-,23-,26-,28-,35-/m0/s1
C39H44ClNO9706.2215300
8162872

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C39H44ClNO9/c1-20-11-9-7-8-10-12-30(45)41-34-33(40)39(50)31-27(38(34)49)18-25(6)37(48)32(31)36(47)24(5)17-23(4)35(46)22(3)14-16-26(42)15-13-21(2)29(44)19-28(20)43/h7-14,16-18,20,22-23,26,28,35,42-43,46,48H,15,19H2,1-6H3,(H,41,45)/b8-7+,11-9-,12-10-,16-14-,21-13-,24-17+/t20-,22-,23-,26-,28-,35-/m0/s1
C39H44ClNO9706.2212100
8502899

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C39H44ClNO9/c1-20-11-9-7-8-10-12-30(45)41-34-33(40)39(50)31-27(38(34)49)18-25(6)37(48)32(31)36(47)24(5)17-23(4)35(46)22(3)14-16-26(42)15-13-21(2)29(44)19-28(20)43/h7-14,16-18,20,22-23,26,28,35,42-43,46,48H,15,19H2,1-6H3,(H,41,45)/b8-7+,11-9-,12-10-,16-14-,21-13-,24-17+
C39H44ClNO9706.2212100
114814486

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C39H44ClNO9/c1-20-11-9-7-8-10-12-30(45)41-34-33(40)39(50)31-27(38(34)49)18-25(6)37(48)32(31)36(47)24(5)17-23(4)35(46)22(3)14-16-26(42)15-13-21(2)29(44)19-28(20)43/h7-14,16-18,20,22-23,26,28,35,42-43,46,48H,15,19H2,1-6H3,(H,41,45)/b8-7+,11-9+,12-10-,16-14+,21-13+,24-17+/t20-,22-,23-,26-,28-,35-/m0/s1
C39H44ClNO9706.2212200
128757663

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C39H44ClNO9/c1-20-11-9-7-8-10-12-30(45)41-34-33(40)39(50)31-27(38(34)49)18-25(6)37(48)32(31)36(47)24(5)17-23(4)35(46)22(3)14-16-26(42)15-13-21(2)29(44)19-28(20)43/h7-14,16-18,20,22-23,26,28,35,42-43,46,48H,15,19H2,1-6H3,(H,41,45)/b8-7-,11-9-,12-10-,16-14-,21-13-,24-17-/t20-,22-,23-,26-,28-,35?/m0/s1
C39H44ClNO9706.2211100
78439805

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C39H44ClNO9/c1-20-11-9-7-8-10-12-30(45)41-34-33(40)39(50)31-27(38(34)49)18-25(6)37(48)32(31)36(47)24(5)17-23(4)35(46)22(3)14-16-26(42)15-13-21(2)29(44)19-28(20)43/h7-14,16-18,20,22-23,26,28,35,42-43,46,48H,15,19H2,1-6H3,(H,41,45)/b8-7-,11-9+,12-10-,16-14+,21-13+,24-17+/t20-,22-,23-,26-,28-,35-/m0/s1
C39H44ClNO9706.2211100

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