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: MFIXZHBJWSBQJA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
390419

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16+,17-,18-,19+,20-,22+,23-,24-,25+,26+,27+,28+,29+/m1/s1
C29H42O11566.6372151704
12021

0 of 14 defined stereocentres - 0/14 defined
InChI=1/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3
C29H42O11566.63728300
21477371

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16-,17+,18+,19-,20+,22-,23+,24+,25-,26-,27-,28-,29-/m0/s1
C29H42O11566.63726702
29699

9 of 14 defined stereocentres - 9/14 defined
InChI=1/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14?,16-,17+,18?,19?,20+,22+,23?,24?,25-,26-,27-,28-,29-/m0/s1
C29H42O11566.63723100
17346522

6 of 14 defined stereocentres - 6/14 defined
InChI=1/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16-,17?,18?,19?,20?,22-,23+,24+,25-,26?,27?,28?,29?/m0/s1
C29H42O11566.63723200
8091612

11 of 14 defined stereocentres - 11/14 defined
InChI=1/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16-,17+,18?,19?,20+,22-,23+,24+,25?,26-,27-,28-,29-/m0/s1
C29H42O11566.63722100
9585371

12 of 14 defined stereocentres - 12/14 defined
InChI=1/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16-,17+,18?,19?,20+,22-,23+,24+,25-,26-,27-,28-,29-/m0/s1
C29H42O11566.63722100
25036821

0 of 14 defined stereocentres - 0/14 defined
InChI=1/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16-,17+,18+,19-,20+,22-,23+,24+,25+,26-,27-,28-,29-/m0/s1
C29H42O11566.63722200
25049394

0 of 14 defined stereocentres - 0/14 defined
InChI=1/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16+,17-,18-,19+,20-,22+,23-,24-,25-,26+,27+,28+,29+/m1/s1
C29H42O11566.63722200
25049395

0 of 14 defined stereocentres - 0/14 defined
InChI=1/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16+,17-,18-,19+,20-,22-,23-,24-,25-,26+,27+,28+,29+/m1/s1
C29H42O11566.63722200
30820992

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16+,17+,18-,19+,20-,22+,23-,24-,25+,26+,27+,28+,29+/m1/s1
C29H42O11566.63722200
30820999

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16-,17+,18+,19-,20-,22-,23+,24+,25-,26-,27-,28-,29-/m0/s1
C29H42O11566.63722200
30821001

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16+,17-,18-,19+,20-,22-,23-,24-,25+,26+,27+,28+,29+/m1/s1
C29H42O11566.63722200
30821005

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16-,17-,18+,19-,20+,22-,23+,24+,25-,26-,27-,28-,29-/m0/s1
C29H42O11566.63722200
30821008

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16+,17+,18+,19-,20+,22-,23+,24+,25-,26-,27-,28-,29-/m0/s1
C29H42O11566.63722200
30821009

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16-,17-,18-,19+,20-,22-,23-,24-,25+,26+,27+,28+,29+/m1/s1
C29H42O11566.63722200
30821010

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16-,17-,18-,19+,20-,22+,23-,24-,25+,26+,27+,28+,29+/m1/s1
C29H42O11566.63722200

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