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 3 results

Search term: GFGOAZVLUCHIET (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9139114

Double-bond stereo

14 of 20 defined stereocentres - 14/20 defined
InChI=1/C42H62O16/c1-19-33(43)27(47-6)16-30(51-19)56-35-20(2)52-31(17-28(35)48-7)57-36-21(3)53-40(34(44)37(36)49-8)54-23-13-14-41(4)22(15-23)9-10-24-26(41)12-11-25-32-29(55-38(24)45)18-50-42(32,5)58-39(25)46/h9,11,19-21,23-24,26-37,40,43-44H,10,12-18H2,1-8H3/b25-11+/t19-,20+,21-,23?,24?,26?,27+,28+,29?,30+,31+,32?,33-,34-,35+,36-,37-,40+,41?,42-/m1/s1
C42H62O16822.93212100
24686411

Double-bond stereo

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C42H62O16/c1-19-33(43)27(47-6)16-30(51-19)56-35-20(2)52-31(17-28(35)48-7)57-36-21(3)53-40(34(44)37(36)49-8)54-23-13-14-41(4)22(15-23)9-10-24-26(41)12-11-25-32-29(55-38(24)45)18-50-42(32,5)58-39(25)46/h9,11,19-21,23-24,26-37,40,43-44H,10,12-18H2,1-8H3/b25-11+/t19-,20+,21-,23+,24+,26+,27+,28+,29-,30+,31+,32-,33-,34-,35+,36-,37-,40+,41+,42-/m1/s1
C42H62O16822.93212200
10214287

Double-bond stereo

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C42H62O16/c1-19-33(43)27(47-6)16-30(51-19)56-35-20(2)52-31(17-28(35)48-7)57-36-21(3)53-40(34(44)37(36)49-8)54-23-13-14-41(4)22(15-23)9-10-24-26(41)12-11-25-32-29(55-38(24)45)18-50-42(32,5)58-39(25)46/h9,11,19-21,23-24,26-37,40,43-44H,10,12-18H2,1-8H3/b25-11+/t19-,20+,21-,23+,24-,26+,27+,28+,29-,30+,31+,32-,33-,34-,35+,36-,37-,40+,41+,42-/m1/s1
C42H62O16822.93211100

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