Matches any text strings used to describe a molecule.
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 19 results

Search term: CMHWMOGWFZWDMR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
285037

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C29H44O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h11,16-21,23-26,30,32-35H,3-10,12-14H2,1-2H3
C29H44O9536.65437600
22913898

11 of 13 defined stereocentres - 11/13 defined
InChI=1/C29H44O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h11,16-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t16?,17-,18+,19?,20+,21+,23+,24-,25+,26+,27-,28+,29-/m0/s1
C29H44O9536.65437400
10284891

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C29H44O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h11,16-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t16-,17+,18-,19+,20-,21-,23-,24+,25-,26-,27+,28-,29+/m1/s1
C29H44O9536.65436700
58131438

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C29H44O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h11,16-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t16-,17+,18-,19+,20-,21-,23-,24+,25-,26+,27+,28-,29+/m1/s1
C29H44O9536.65434400
24688433

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C29H44O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h11,16-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t16-,17-,18+,19-,20+,21+,23+,24-,25+,26+,27-,28+,29-/m0/s1
C29H44O9536.65434300
26263

8 of 13 defined stereocentres - 8/13 defined
InChI=1/C29H44O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h11,16-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t16-,17+,18-,19?,20?,21?,23-,24?,25?,26-,27+,28-,29+/m1/s1
C29H44O9536.65433300
2339815

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C29H44O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h11,16-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t16-,17+,18-,19+,20-,21-,23+,24+,25-,26-,27+,28-,29?/m1/s1
C29H44O9536.6542599999992200
8228462

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C29H44O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h11,16-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t16-,17+,18-,19+,20-,21-,23-,24-,25-,26-,27+,28-,29+/m1/s1
C29H44O9536.65432100
8432146

10 of 13 defined stereocentres - 10/13 defined
InChI=1/C29H44O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h11,16-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t16?,17-,18+,19?,20?,21+,23+,24-,25+,26+,27-,28+,29-/m0/s1
C29H44O9536.65432100
8590256

10 of 13 defined stereocentres - 10/13 defined
InChI=1/C29H44O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h11,16-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t16?,17-,18+,19?,20?,21+,23-,24-,25+,26+,27-,28+,29-/m0/s1
C29H44O9536.65432100
9072063

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C29H44O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h11,16-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t16-,17+,18-,19+,20-,21-,23+,24+,25-,26-,27+,28-,29+/m1/s1
C29H44O9536.65432100
58132105

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C29H44O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h11,16-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t16-,17+,18-,19+,20-,21+,23-,24+,25+,26-,27+,28-,29+/m1/s1
C29H44O9536.65432200
17465897

7 of 13 defined stereocentres - 7/13 defined
InChI=1/C29H44O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h11,16-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t16-,17-,18+,19?,20+,21?,23?,24?,25?,26?,27-,28+,29-/m0/s1
C29H44O9536.65432100
28941965

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C29H44O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h11,16-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t16?,17-,18+,19-,20+,21-,23-,24-,25-,26+,27-,28+,29+/m0/s1
C29H44O9536.65432200
34257939

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C29H44O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h11,16-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t16-,17+,18-,19+,20-,21+,23+,24-,25-,26-,27+,28-,29+/m1/s1
C29H44O9536.65432200
113600471

11 of 13 defined stereocentres - 11/13 defined
InChI=1/C29H44O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h11,16-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t16?,17-,18+,19?,20+,21+,23+,24-,25+,26+,27-,28+,29-/m1/s1
C29H44O9536.65431100
129306199

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C29H44O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h11,16-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t16-,17+,18+,19+,20+,21-,23-,24-,25-,26+,27+,28+,29+/m1/s1
C29H44O9536.65431100
25034006

6 of 13 defined stereocentres - 6/13 defined
InChI=1/C29H44O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h11,16-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t16?,17?,18?,19?,20?,21-,23+,24+,25-,26+,27?,28-,29?/m1/s1
C29H44O9536.65431100
28513058

6 of 13 defined stereocentres - 6/13 defined
InChI=1/C29H44O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h11,16-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t16?,17?,18?,19?,20?,21-,23+,24+,25-,26-,27?,28-,29?/m1/s1
C29H44O9536.65431100

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