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 5 results

Search term: JSYTVJCZLSFGTM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28532927

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C26H33NO7/c1-6-16-9-12(2)23-14(4)24(33-21-8-7-20(29)15(5)32-21)18-10-17(28)11-19(25(18)34-23)27-26(31)13(3)22(16)30/h6,9-11,13-15,20-21,23-24,28-29H,7-8H2,1-5H3,(H,27,31)/b12-9+,16-6-/t13?,14-,15-,20-,21+,23-,24+/m1/s1
C26H33NO7471.54272200
65322554

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C26H33NO7/c1-6-16-9-12(2)23-14(4)24(33-21-8-7-20(29)15(5)32-21)18-10-17(28)11-19(25(18)34-23)27-26(31)13(3)22(16)30/h6,9-11,13-15,20-21,23-24,28-29H,7-8H2,1-5H3,(H,27,31)/b12-9-,16-6-/t13?,14-,15-,20-,21+,23?,24+/m1/s1
C26H33NO7471.54271100
78445244

Double-bond stereo

2 of 7 defined stereocentres - 2/7 defined
InChI=1/C26H33NO7/c1-6-16-9-12(2)23-14(4)24(33-21-8-7-20(29)15(5)32-21)18-10-17(28)11-19(25(18)34-23)27-26(31)13(3)22(16)30/h6,9-11,13-15,20-21,23-24,28-29H,7-8H2,1-5H3,(H,27,31)/b12-9-,16-6-/t13?,14-,15?,20?,21?,23?,24+/m1/s1
C26H33NO7471.54271100
79715852

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C26H33NO7/c1-6-16-9-12(2)23-14(4)24(33-21-8-7-20(29)15(5)32-21)18-10-17(28)11-19(25(18)34-23)27-26(31)13(3)22(16)30/h6,9-11,13-15,20-21,23-24,28-29H,7-8H2,1-5H3,(H,27,31)/b12-9-,16-6-/t13?,14-,15+,20-,21+,23-,24+/m1/s1
C26H33NO7471.54271100

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