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 9 results

Search term: MCGWYAODOJPYQT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4585276

Double-bond stereo

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C29H36O9/c1-16-9-10-28-14-33-24(31)12-17(2)25(32)26-35-18(3)19(36-26)7-5-6-8-23(30)38-20-13-22(37-21(28)11-16)29(15-34-29)27(20,28)4/h5-8,11-12,18-22,25-26,32H,9-10,13-15H2,1-4H3/b7-5-,8-6-,17-12-
C29H36O9528.59073300
4953066

Double-bond stereo

5 of 10 defined stereocentres - 5/10 defined
InChI=1/C29H36O9/c1-16-9-10-28-14-33-24(31)12-17(2)25(32)26-35-18(3)19(36-26)7-5-6-8-23(30)38-20-13-22(37-21(28)11-16)29(15-34-29)27(20,28)4/h5-8,11-12,18-22,25-26,32H,9-10,13-15H2,1-4H3/b7-5-,8-6-,17-12-/t18?,19?,20-,21-,22-,25?,26?,27-,28-,29?/m1/s1
C29H36O9528.59072200
16738382

Double-bond stereo

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C29H36O9/c1-16-9-10-28-14-33-24(31)12-17(2)25(32)26-35-18(3)19(36-26)7-5-6-8-23(30)38-20-13-22(37-21(28)11-16)29(15-34-29)27(20,28)4/h5-8,11-12,18-22,25-26,32H,9-10,13-15H2,1-4H3/b7-5+,8-6-,17-12-/t18?,19?,20-,21-,22-,25?,26?,27-,28-,29+/m1/s1
C29H36O9528.59072200
382873

Double-bond stereo

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C29H36O9/c1-16-9-10-28-14-33-24(31)12-17(2)25(32)26-35-18(3)19(36-26)7-5-6-8-23(30)38-20-13-22(37-21(28)11-16)29(15-34-29)27(20,28)4/h5-8,11-12,18-22,25-26,32H,9-10,13-15H2,1-4H3
C29H36O9528.59072100
128437199

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H36O9/c1-16-9-10-28-14-33-24(31)12-17(2)25(32)26-35-18(3)19(36-26)7-5-6-8-23(30)38-20-13-22(37-21(28)11-16)29(15-34-29)27(20,28)4/h5-8,11-12,18-22,25-26,32H,9-10,13-15H2,1-4H3/b7-5+,8-6-,17-12+/t18-,19-,20+,21+,22+,25+,26+,27+,28+,29-/m0/s1
C29H36O9528.59072200
23171086

Double-bond stereo

5 of 10 defined stereocentres - 5/10 defined
InChI=1/C29H36O9/c1-16-9-10-28-14-33-24(31)12-17(2)25(32)26-35-18(3)19(36-26)7-5-6-8-23(30)38-20-13-22(37-21(28)11-16)29(15-34-29)27(20,28)4/h5-8,11-12,18-22,25-26,32H,9-10,13-15H2,1-4H3/b7-5+,8-6-,17-12+/t18?,19?,20-,21-,22-,25?,26?,27-,28-,29?/m1/s1
C29H36O9528.59071100
52085184

Double-bond stereo

7 of 10 defined stereocentres - 7/10 defined
InChI=1/C29H36O9/c1-16-9-10-28-14-33-24(31)12-17(2)25(32)26-35-18(3)19(36-26)7-5-6-8-23(30)38-20-13-22(37-21(28)11-16)29(15-34-29)27(20,28)4/h5-8,11-12,18-22,25-26,32H,9-10,13-15H2,1-4H3/b7-5-,8-6-,17-12-/t18-,19-,20-,21-,22?,25?,26?,27-,28-,29+/m1/s1
C29H36O9528.59071100
58827863

Double-bond stereo

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C29H36O9/c1-16-9-10-28-14-33-24(31)12-17(2)25(32)26-35-18(3)19(36-26)7-5-6-8-23(30)38-20-13-22(37-21(28)11-16)29(15-34-29)27(20,28)4/h5-8,11-12,18-22,25-26,32H,9-10,13-15H2,1-4H3/b7-5+,8-6-,17-12+/t18-,19-,20-,21-,22-,25?,26?,27-,28-,29+/m1/s1
C29H36O9528.59071100
78445513

Double-bond stereo

4 of 10 defined stereocentres - 4/10 defined
InChI=1/C29H36O9/c1-16-9-10-28-14-33-24(31)12-17(2)25(32)26-35-18(3)19(36-26)7-5-6-8-23(30)38-20-13-22(37-21(28)11-16)29(15-34-29)27(20,28)4/h5-8,11-12,18-22,25-26,32H,9-10,13-15H2,1-4H3/b7-5+,8-6-,17-12-/t18?,19?,20-,21-,22?,25?,26?,27-,28-,29?/m1/s1
C29H36O9528.59071100

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