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: NVGDRZNFKVTHMG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4952769

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C37H55NO10/c1-8-10-13-20-30-36(5,6)33(42)34(43)37(45,48-30)26(9-2)35(44)38-22-17-16-18-24(3)32(46-7)25(4)29-23-27(39)28(47-29)19-14-11-12-15-21-31(40)41/h8,10-21,25-30,32-34,39,42-43,45H,9,22-23H2,1-7H3,(H,38,44)(H,40,41)/b10-8-,12-11+,17-16+,19-14+,20-13+,21-15+,24-18+/t25-,26+,27+,28+,29+,30-,32+,33-,34+,37+/m0/s1
C37H55NO10673.8333171400
73983321

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C37H55NO10/c1-8-10-13-20-30-36(5,6)33(42)34(43)37(45,48-30)26(9-2)35(44)38-22-17-16-18-24(3)32(46-7)25(4)29-23-27(39)28(47-29)19-14-11-12-15-21-31(40)41/h8,10-21,25-30,32-34,39,42-43,45H,9,22-23H2,1-7H3,(H,38,44)(H,40,41)/b10-8-,12-11+,17-16+,19-14+,20-13+,21-15+,24-18+/t25-,26-,27+,28+,29+,30-,32+,33-,34+,37+/m0/s1
C37H55NO10673.83331100
74786348

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C37H55NO10/c1-8-10-13-20-30-36(5,6)33(42)34(43)37(45,48-30)26(9-2)35(44)38-22-17-16-18-24(3)32(46-7)25(4)29-23-27(39)28(47-29)19-14-11-12-15-21-31(40)41/h8,10-21,25-30,32-34,39,42-43,45H,9,22-23H2,1-7H3,(H,38,44)(H,40,41)/b10-8-,12-11+,17-16+,19-14+,20-13+,21-15+,24-18+/t25-,26?,27-,28-,29-,30-,32-,33-,34+,37+/m0/s1
C37H55NO10673.83331100
113601375

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C37H55NO10/c1-8-10-13-20-30-36(5,6)33(42)34(43)37(45,48-30)26(9-2)35(44)38-22-17-16-18-24(3)32(46-7)25(4)29-23-27(39)28(47-29)19-14-11-12-15-21-31(40)41/h8,10-21,25-30,32-34,39,42-43,45H,9,22-23H2,1-7H3,(H,38,44)(H,40,41)/b10-8-,12-11+,17-16+,19-14+,20-13+,21-15+,24-18+/t25-,26+,27+,28+,29+,30-,32+,33-,34+,37+/m1/s1
C37H55NO10673.83331100

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