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 11 results

Search term: IWFOIUWPNYEUAI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4952876

Double-bond stereo

4 of 9 defined stereocentres - 4/9 defined
InChI=1/C29H36O8/c1-17-9-10-28-15-32-25(31)12-18(2)13-26-34-19(3)20(35-26)7-5-6-8-24(30)37-21-14-23(36-22(28)11-17)29(16-33-29)27(21,28)4/h5-8,11-12,19-23,26H,9-10,13-16H2,1-4H3/b7-5-,8-6-,18-12-/t19?,20?,21-,22-,23?,26?,27?,28-,29+/m1/s1
C29H36O8512.59134400
4519129

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C29H36O8/c1-17-9-10-28-15-32-25(31)12-18(2)13-26-34-19(3)20(35-26)7-5-6-8-24(30)37-21-14-23(36-22(28)11-17)29(16-33-29)27(21,28)4/h5-8,11-12,19-23,26H,9-10,13-16H2,1-4H3/b7-5-,8-6-,18-12-
C29H36O8512.59133500
484593

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C29H36O8/c1-17-9-10-28-15-32-25(31)12-18(2)13-26-34-19(3)20(35-26)7-5-6-8-24(30)37-21-14-23(36-22(28)11-17)29(16-33-29)27(21,28)4/h5-8,11-12,19-23,26H,9-10,13-16H2,1-4H3
C29H36O8512.59132100
4513812

Double-bond stereo

5 of 9 defined stereocentres - 5/9 defined
InChI=1/C29H36O8/c1-17-9-10-28-15-32-25(31)12-18(2)13-26-34-19(3)20(35-26)7-5-6-8-24(30)37-21-14-23(36-22(28)11-17)29(16-33-29)27(21,28)4/h5-8,11-12,19-23,26H,9-10,13-16H2,1-4H3/b7-5-,8-6-,18-12-/t19?,20?,21-,22-,23-,26?,27-,28?,29+/m1/s1
C29H36O8512.59132200
16738381

Double-bond stereo

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C29H36O8/c1-17-9-10-28-15-32-25(31)12-18(2)13-26-34-19(3)20(35-26)7-5-6-8-24(30)37-21-14-23(36-22(28)11-17)29(16-33-29)27(21,28)4/h5-8,11-12,19-23,26H,9-10,13-16H2,1-4H3/b7-5+,8-6-,18-12-/t19?,20?,21-,22-,23-,26?,27-,28-,29+/m1/s1
C29H36O8512.59132200
24657194

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H36O8/c1-17-9-10-28-15-32-25(31)12-18(2)13-26-34-19(3)20(35-26)7-5-6-8-24(30)37-21-14-23(36-22(28)11-17)29(16-33-29)27(21,28)4/h5-8,11-12,19-23,26H,9-10,13-16H2,1-4H3/b7-5+,8-6-,18-12+/t19-,20-,21-,22-,23-,26-,27-,28-,29+/m1/s1
C29H36O8512.59132200
24737825

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H36O8/c1-17-9-10-28-15-32-25(31)12-18(2)13-26-34-19(3)20(35-26)7-5-6-8-24(30)37-21-14-23(36-22(28)11-17)29(16-33-29)27(21,28)4/h5-8,11-12,19-23,26H,9-10,13-16H2,1-4H3/b7-5-,8-6-,18-12-/t19-,20-,21+,22+,23+,26+,27+,28+,29-/m0/s1
C29H36O8512.59131100
32762405

Double-bond stereo

5 of 9 defined stereocentres - 5/9 defined
InChI=1/C29H36O8/c1-17-9-10-28-15-32-25(31)12-18(2)13-26-34-19(3)20(35-26)7-5-6-8-24(30)37-21-14-23(36-22(28)11-17)29(16-33-29)27(21,28)4/h5-8,11-12,19-23,26H,9-10,13-16H2,1-4H3/b7-5+,8-6-,18-12-/t19?,20?,21-,22-,23-,26?,27-,28?,29+/m1/s1
C29H36O8512.59131100
52085236

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C29H36O8/c1-17-9-10-28-15-32-25(31)12-18(2)13-26-34-19(3)20(35-26)7-5-6-8-24(30)37-21-14-23(36-22(28)11-17)29(16-33-29)27(21,28)4/h5-8,11-12,19-23,26H,9-10,13-16H2,1-4H3/b7-5-,8-6-,18-12-/t19-,20-,21-,22-,23?,26?,27-,28-,29+/m1/s1
C29H36O8512.59131100
58827865

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C29H36O8/c1-17-9-10-28-15-32-25(31)12-18(2)13-26-34-19(3)20(35-26)7-5-6-8-24(30)37-21-14-23(36-22(28)11-17)29(16-33-29)27(21,28)4/h5-8,11-12,19-23,26H,9-10,13-16H2,1-4H3/b7-5+,8-6-,18-12+/t19-,20-,21-,22-,23-,26?,27-,28-,29+/m1/s1
C29H36O8512.59131100
66738318

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C29H36O8/c1-17-9-10-28-15-32-25(31)12-18(2)13-26-34-19(3)20(35-26)7-5-6-8-24(30)37-21-14-23(36-22(28)11-17)29(16-33-29)27(21,28)4/h5-8,11-12,19-23,26H,9-10,13-16H2,1-4H3/b7-5+,8-6+,18-12+/t19-,20-,21-,22-,23?,26?,27+,28+,29-/m1/s1
C29H36O8512.59131100

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