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 8 results

Search term: XHUFBJWIETZGNX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
20077816

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C20H24N7O5P/c1-12(19(28)30-2)26-33(29,32-15-6-4-3-5-7-15)31-10-14-8-13(14)9-27-11-23-16-17(21)24-20(22)25-18(16)27/h3-7,9,11-12,14H,8,10H2,1-2H3,(H,26,29)(H4,21,22,24,25)/b13-9-/t12-,14?,33?/m0/s1
C20H24N7O5P473.42226600
2273565

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C20H24N7O5P/c1-12(19(28)30-2)26-33(29,32-15-6-4-3-5-7-15)31-10-14-8-13(14)9-27-11-23-16-17(21)24-20(22)25-18(16)27/h3-7,9,11-12,14H,8,10H2,1-2H3,(H,26,29)(H4,21,22,24,25)/b13-9-/t12?,14-,33?/m0/s1
C20H24N7O5P473.4222214300
2273566

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C20H24N7O5P/c1-12(19(28)30-2)26-33(29,32-15-6-4-3-5-7-15)31-10-14-8-13(14)9-27-11-23-16-17(21)24-20(22)25-18(16)27/h3-7,9,11-12,14H,8,10H2,1-2H3,(H,26,29)(H4,21,22,24,25)/b13-9-/t12?,14-,33?/m1/s1
C20H24N7O5P473.4222213200
2273179

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C20H24N7O5P/c1-12(19(28)30-2)26-33(29,32-15-6-4-3-5-7-15)31-10-14-8-13(14)9-27-11-23-16-17(21)24-20(22)25-18(16)27/h3-7,9,11-12,14H,8,10H2,1-2H3,(H,26,29)(H4,21,22,24,25)/b13-9-/t12-,14+,33?/m0/s1
C20H24N7O5P473.4222213300
4587258

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C20H24N7O5P/c1-12(19(28)30-2)26-33(29,32-15-6-4-3-5-7-15)31-10-14-8-13(14)9-27-11-23-16-17(21)24-20(22)25-18(16)27/h3-7,9,11-12,14H,8,10H2,1-2H3,(H,26,29)(H4,21,22,24,25)/b13-9+/t12-,14+,33?/m0/s1
C20H24N7O5P473.42222200
8203384

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C20H24N7O5P/c1-12(19(28)30-2)26-33(29,32-15-6-4-3-5-7-15)31-10-14-8-13(14)9-27-11-23-16-17(21)24-20(22)25-18(16)27/h3-7,9,11-12,14H,8,10H2,1-2H3,(H,26,29)(H4,21,22,24,25)
C20H24N7O5P473.42222100
34988190

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H24N7O5P/c1-12(19(28)30-2)26-33(29,32-15-6-4-3-5-7-15)31-10-14-8-13(14)9-27-11-23-16-17(21)24-20(22)25-18(16)27/h3-7,9,11-12,14H,8,10H2,1-2H3,(H,26,29)(H4,21,22,24,25)/b13-9-/t12-,14-,33-/m0/s1
C20H24N7O5P473.42221100
34988191

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C20H24N7O5P/c1-12(19(28)30-2)26-33(29,32-15-6-4-3-5-7-15)31-10-14-8-13(14)9-27-11-23-16-17(21)24-20(22)25-18(16)27/h3-7,9,11-12,14H,8,10H2,1-2H3,(H,26,29)(H4,21,22,24,25)/b13-9-/t12-,14-,33?/m0/s1
C20H24N7O5P473.42221100

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