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 10 results

Search term: APODVSVTRILENH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2145287

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C31H50O3/c1-26(2)22-11-14-31(7)23(29(22,5)13-12-24(26)32)10-9-20-21-19-28(4,25(33)34-8)16-15-27(21,3)17-18-30(20,31)6/h9,21-24,32H,10-19H2,1-8H3
C31H50O3470.72690000000110500
8542918

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H50O3/c1-26(2)22-11-14-31(7)23(29(22,5)13-12-24(26)32)10-9-20-21-19-28(4,25(33)34-8)16-15-27(21,3)17-18-30(20,31)6/h9,21-24,32H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29-,30+,31+/m0/s1
C31H50O3470.72696400
20473407

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C31H50O3/c1-26(2)22-11-14-31(7)23(29(22,5)13-12-24(26)32)10-9-20-21-19-28(4,25(33)34-8)16-15-27(21,3)17-18-30(20,31)6/h9,21-24,32H,10-19H2,1-8H3/t21-,22?,23?,24?,27+,28-,29-,30+,31+/m0/s1
C31H50O3470.72695300
23339086

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H50O3/c1-26(2)22-11-14-31(7)23(29(22,5)13-12-24(26)32)10-9-20-21-19-28(4,25(33)34-8)16-15-27(21,3)17-18-30(20,31)6/h9,21-24,32H,10-19H2,1-8H3/t21-,22-,23+,24+,27+,28+,29-,30+,31+/m0/s1
C31H50O3470.72692200
1694200

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H50O3/c1-26(2)22-11-14-31(7)23(29(22,5)13-12-24(26)32)10-9-20-21-19-28(4,25(33)34-8)16-15-27(21,3)17-18-30(20,31)6/h9,21-24,32H,10-19H2,1-8H3/t21-,22+,23-,24-,27-,28+,29-,30+,31+/m1/s1
C31H50O3470.72692100
10082634

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H50O3/c1-26(2)22-11-14-31(7)23(29(22,5)13-12-24(26)32)10-9-20-21-19-28(4,25(33)34-8)16-15-27(21,3)17-18-30(20,31)6/h9,21-24,32H,10-19H2,1-8H3/t21-,22+,23-,24+,27-,28+,29-,30+,31-/m1/s1
C31H50O3470.72692100
10082635

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H50O3/c1-26(2)22-11-14-31(7)23(29(22,5)13-12-24(26)32)10-9-20-21-19-28(4,25(33)34-8)16-15-27(21,3)17-18-30(20,31)6/h9,21-24,32H,10-19H2,1-8H3/t21-,22-,23-,24+,27-,28+,29-,30+,31-/m1/s1
C31H50O3470.72692100
10082636

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H50O3/c1-26(2)22-11-14-31(7)23(29(22,5)13-12-24(26)32)10-9-20-21-19-28(4,25(33)34-8)16-15-27(21,3)17-18-30(20,31)6/h9,21-24,32H,10-19H2,1-8H3/t21-,22+,23-,24+,27-,28+,29-,30+,31+/m1/s1
C31H50O3470.72692100
10082637

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H50O3/c1-26(2)22-11-14-31(7)23(29(22,5)13-12-24(26)32)10-9-20-21-19-28(4,25(33)34-8)16-15-27(21,3)17-18-30(20,31)6/h9,21-24,32H,10-19H2,1-8H3/t21-,22-,23-,24+,27-,28+,29-,30+,31+/m1/s1
C31H50O3470.72692100
26581205

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C31H50O3/c1-26(2)22-11-14-31(7)23(29(22,5)13-12-24(26)32)10-9-20-21-19-28(4,25(33)34-8)16-15-27(21,3)17-18-30(20,31)6/h9,21-24,32H,10-19H2,1-8H3/t21-,22?,23+,24-,27+,28-,29-,30+,31+/m0/s1
C31H50O3470.72691200

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