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: KFBGLXLATKTYNS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8270609

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H18N2O10/c1-5-6-2-3-8(22(31)32)15(25)11(6)16(26)13-10(5)14(24)7-4-9(23)12(19(21)29)17(27)20(7,30)18(13)28/h2-3,5,7,10,14,24-26,29-30H,4,21H2,1H3/b19-12-/t5-,7-,10-,14+,20-/m1/s1
C20H18N2O10446.36432100
8450886

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C20H18N2O10/c1-5-6-2-3-8(22(31)32)15(25)11(6)16(26)13-10(5)14(24)7-4-9(23)12(19(21)29)17(27)20(7,30)18(13)28/h2-3,5,7,10,14,24-26,29-30H,4,21H2,1H3/b19-12-/t5?,7-,10-,14?,20-/m1/s1
C20H18N2O10446.36432100
8654128

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H18N2O10/c1-5-6-2-3-8(22(31)32)15(25)11(6)16(26)13-10(5)14(24)7-4-9(23)12(19(21)29)17(27)20(7,30)18(13)28/h2-3,5,7,10,14,24-26,29-30H,4,21H2,1H3/b19-12-/t5-,7+,10+,14-,20+/m0/s1
C20H18N2O10446.36432100
10165120

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H18N2O10/c1-5-6-2-3-8(22(31)32)15(25)11(6)16(26)13-10(5)14(24)7-4-9(23)12(19(21)29)17(27)20(7,30)18(13)28/h2-3,5,7,10,14,24-26,29-30H,4,21H2,1H3/b19-12-/t5-,7+,10+,14+,20+/m0/s1
C20H18N2O10446.36432100
13095379

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C20H18N2O10/c1-5-6-2-3-8(22(31)32)15(25)11(6)16(26)13-10(5)14(24)7-4-9(23)12(19(21)29)17(27)20(7,30)18(13)28/h2-3,5,7,10,14,24-26,29-30H,4,21H2,1H3/b19-12-/t5-,7?,10?,14-,20-/m1/s1
C20H18N2O10446.36431100

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