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 7 results

Search term: ISQNHBQZTYOGKM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
77431555

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C43H58N4O12.C6H7N3O.C5H5N3O/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49;7-9-6(10)5-1-3-8-4-2-5;6-5(9)4-3-7-1-2-8-4/h11-14,19-21,23-25,29,34-35,39,44,49-51,53H,15-18H2,1-10H3,(H,45,55);1-4H,7H2,(H,9,10);1-3H,(H2,6,9)/b12-11+,19-14+,22-13-,28-20+;;/t21?,23-,24-,25-,29+,34+,35-,39-,43+;;/m1../s1
C54H70N10O141083.19222200
114551571

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C43H58N4O12.C6H7N3O.C5H5N3O/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49;7-9-6(10)5-1-3-8-4-2-5;6-5(9)4-3-7-1-2-8-4/h11-14,19-21,23-25,29,34-35,39,44,49-51,53H,15-18H2,1-10H3,(H,45,55);1-4H,7H2,(H,9,10);1-3H,(H2,6,9)/b12-11-,19-14-,22-13-,28-20+;;/t21-,23+,24+,25+,29-,34-,35+,39+,43-;;/m0../s1
C54H70N10O141083.19221100
123961978

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C43H58N4O12.C6H7N3O.C5H5N3O/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49;7-9-6(10)5-1-3-8-4-2-5;6-5(9)4-3-7-1-2-8-4/h11-14,19-21,23-25,29,34-35,39,44,49-51,53H,15-18H2,1-10H3,(H,45,55);1-4H,7H2,(H,9,10);1-3H,(H2,6,9)/b12-11-,19-14-,22-13-,28-20+;;/t21-,23+,24+,25+,29-,34-,35+,39+,43?;;/m0../s1
C54H70N10O141083.19221100
4976205

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C43H58N4O12.C6H7N3O.C5H5N3O/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49;7-9-6(10)5-1-3-8-4-2-5;6-5(9)4-3-7-1-2-8-4/h11-14,19-21,23-25,29,34-35,39,44,49-51,53H,15-18H2,1-10H3,(H,45,55);1-4H,7H2,(H,9,10);1-3H,(H2,6,9)/b12-11+,19-14+,22-13+,28-20+;;/t21-,23+,24+,25+,29-,34-,35+,39+,43-;;/m0../s1
C54H70N10O141083.19221100
57522874

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C43H58N4O12.C6H7N3O.C5H5N3O/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49;7-9-6(10)5-1-3-8-4-2-5;6-5(9)4-3-7-1-2-8-4/h11-14,19-21,23-25,29,34-35,39,44,49-51,53H,15-18H2,1-10H3,(H,45,55);1-4H,7H2,(H,9,10);1-3H,(H2,6,9)/b12-11+,19-14+,22-13-,28-20-;;/t21-,23+,24+,25+,29-,34-,35+,39+,43-;;/m0../s1
C54H70N10O141083.19221100
68027110

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C43H58N4O12.C6H7N3O.C5H5N3O/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49;7-9-6(10)5-1-3-8-4-2-5;6-5(9)4-3-7-1-2-8-4/h11-14,19-21,23-25,29,34-35,39,44,49-51,53H,15-18H2,1-10H3,(H,45,55);1-4H,7H2,(H,9,10);1-3H,(H2,6,9)/b12-11-,19-14-,22-13-,28-20+;;/t21?,23-,24-,25-,29+,34+,35-,39-,43-;;/m1../s1
C54H70N10O141083.19221100

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