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 2 results

Search term: JFEVKKNSKZMJTN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
23278520

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C31H46O10/c1-18-14-21(4)31(36,40-27(18)19(2)17-32)28(35)25-16-24-23(37-25)15-20(3)30(39-24)13-12-29(41-30)11-7-9-22(38-29)8-5-6-10-26(33)34/h5,7-9,18,20-25,27-28,32,35-36H,2,6,10-17H2,1,3-4H3,(H,33,34)/b8-5+/t18-,20-,21+,22-,23-,24-,25+,27-,28-,29+,30-,31+/m0/s1
C31H46O10578.69092200
23278521

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C31H46O10/c1-18-14-21(4)31(36,40-27(18)19(2)17-32)28(35)25-16-24-23(37-25)15-20(3)30(39-24)13-12-29(41-30)11-7-9-22(38-29)8-5-6-10-26(33)34/h5,7-9,18,20-25,27-28,32,35-36H,2,6,10-17H2,1,3-4H3,(H,33,34)/b8-5+/t18-,20+,21+,22+,23+,24+,25-,27-,28+,29-,30+,31+/m0/s1
C31H46O10578.69092200

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