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 6 results

Search term: JNPMYSILHRFUPH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
23287879

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C30H42O7/c1-19-12-13-34-23(15-19)10-11-26-27-18-28(36-26)30(33)25(31)17-21(3)14-20(2)16-24-8-4-6-22(35-24)7-5-9-29(32)37-27/h4-6,9-12,20,22-28,30-31,33H,3,7-8,13-18H2,1-2H3/b9-5-,11-10+/t20-,22-,23+,24-,25-,26-,27-,28+,30-/m0/s1
C30H42O7514.65035500
27025283

Double-bond stereo

4 of 9 defined stereocentres - 4/9 defined
InChI=1/C30H42O7/c1-19-12-13-34-23(15-19)10-11-26-27-18-28(36-26)30(33)25(31)17-21(3)14-20(2)16-24-8-4-6-22(35-24)7-5-9-29(32)37-27/h4-6,9-12,20,22-28,30-31,33H,3,7-8,13-18H2,1-2H3/b9-5-,11-10+/t20?,22?,23?,24?,25?,26-,27-,28+,30-/m1/s1
C30H42O7514.65032200
8090098

Double-bond stereo

3 of 9 defined stereocentres - 3/9 defined
InChI=1/C30H42O7/c1-19-12-13-34-23(15-19)10-11-26-27-18-28(36-26)30(33)25(31)17-21(3)14-20(2)16-24-8-4-6-22(35-24)7-5-9-29(32)37-27/h4-6,9-12,20,22-28,30-31,33H,3,7-8,13-18H2,1-2H3/b9-5+,11-10+/t20?,22?,23?,24?,25?,26-,27-,28?,30-/m1/s1
C30H42O7514.65032100
8159575

Double-bond stereo

5 of 9 defined stereocentres - 5/9 defined
InChI=1/C30H42O7/c1-19-12-13-34-23(15-19)10-11-26-27-18-28(36-26)30(33)25(31)17-21(3)14-20(2)16-24-8-4-6-22(35-24)7-5-9-29(32)37-27/h4-6,9-12,20,22-28,30-31,33H,3,7-8,13-18H2,1-2H3/b9-5+,11-10+/t20?,22?,23?,24?,25-,26-,27-,28+,30-/m0/s1
C30H42O7514.65032100
8383413

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C30H42O7/c1-19-12-13-34-23(15-19)10-11-26-27-18-28(36-26)30(33)25(31)17-21(3)14-20(2)16-24-8-4-6-22(35-24)7-5-9-29(32)37-27/h4-6,9-12,20,22-28,30-31,33H,3,7-8,13-18H2,1-2H3/b9-5+,11-10+/t20?,22-,23+,24-,25-,26?,27-,28+,30-/m0/s1
C30H42O7514.65032100
10472212

Double-bond stereo

5 of 9 defined stereocentres - 5/9 defined
InChI=1/C30H42O7/c1-19-12-13-34-23(15-19)10-11-26-27-18-28(36-26)30(33)25(31)17-21(3)14-20(2)16-24-8-4-6-22(35-24)7-5-9-29(32)37-27/h4-6,9-12,20,22-28,30-31,33H,3,7-8,13-18H2,1-2H3/b9-5-,11-10+/t20?,22?,23?,24?,25-,26-,27-,28+,30-/m0/s1
C30H42O7514.65032200

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