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
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Found 4 results

Search term: FWXLVXABZRYLST (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4943025

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C40H62O8/c1-12-22(3)33(45)47-31-32(48-34(46)23(4)13-2)40(21-41)25(20-35(31,5)6)24-14-15-27-37(9)18-17-28(42)36(7,8)26(37)16-19-38(27,10)39(24,11)29(43)30(40)44/h12-14,25-32,41-44H,15-21H2,1-11H3/b22-12-,23-13+/t25-,26-,27+,28-,29-,30+,31-,32-,37-,38+,39-,40-/m0/s1
C40H62O8670.91553300
9356533

Double-bond stereo

9 of 12 defined stereocentres - 9/12 defined
InChI=1/C40H62O8/c1-12-22(3)33(45)47-31-32(48-34(46)23(4)13-2)40(21-41)25(20-35(31,5)6)24-14-15-27-37(9)18-17-28(42)36(7,8)26(37)16-19-38(27,10)39(24,11)29(43)30(40)44/h12-14,25-32,41-44H,15-21H2,1-11H3/b22-12-,23-13-/t25?,26?,27?,28-,29-,30+,31-,32-,37-,38+,39-,40-/m0/s1
C40H62O8670.91552100
23327195

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C40H62O8/c1-12-22(3)33(45)47-31-32(48-34(46)23(4)13-2)40(21-41)25(20-35(31,5)6)24-14-15-27-37(9)18-17-28(42)36(7,8)26(37)16-19-38(27,10)39(24,11)29(43)30(40)44/h12-14,25-32,41-44H,15-21H2,1-11H3/b22-12+,23-13-/t25-,26-,27+,28-,29-,30+,31-,32-,37-,38+,39-,40-/m0/s1
C40H62O8670.91552200
10217481

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C40H62O8/c1-12-22(3)33(45)47-31-32(48-34(46)23(4)13-2)40(21-41)25(20-35(31,5)6)24-14-15-27-37(9)18-17-28(42)36(7,8)26(37)16-19-38(27,10)39(24,11)29(43)30(40)44/h12-14,25-32,41-44H,15-21H2,1-11H3/b22-12-,23-13-/t25-,26-,27+,28-,29+,30+,31-,32-,37-,38+,39-,40-/m0/s1
C40H62O8670.91551100

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