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 9 results

Search term: OWFUPROYPKGHMH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
64942

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C18H18N4O2/c1-14(12-15-8-4-2-5-9-15)22-13-17(24-21-22)20-18(23)19-16-10-6-3-7-11-16/h2-11,13-14H,12H2,1H3,(H-,19,20,21,23)
C18H18N4O2322.3611162700
64943

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C18H18N4O2/c1-14(12-15-8-4-2-5-9-15)22-13-17(24-21-22)20-18(23)19-16-10-6-3-7-11-16/h2-11,13-14H,12H2,1H3,(H-,19,20,21,23)/p+1
C18H19N4O2323.36856300
5473777

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C18H18N4O2/c1-14(12-15-8-4-2-5-9-15)22-13-17(24-21-22)20-18(23)19-16-10-6-3-7-11-16/h2-11,13-14H,12H2,1H3,(H-,19,20,21,23)/t14-/m1/s1
C18H18N4O2322.361151000
5779948

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C18H18N4O2/c1-14(12-15-8-4-2-5-9-15)22-13-17(24-21-22)20-18(23)19-16-10-6-3-7-11-16/h2-11,13-14H,12H2,1H3,(H-,19,20,21,23)/t14-/m0/s1
C18H18N4O2322.36115700
5779949

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C18H18N4O2/c1-14(12-15-8-4-2-5-9-15)22-13-17(24-21-22)20-18(23)19-16-10-6-3-7-11-16/h2-11,13-14H,12H2,1H3,(H-,19,20,21,23)/p+1/t14-/m0/s1
C18H19N4O2323.36852100
58783000

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C18H18N4O2/c1-14(12-15-8-4-2-5-9-15)22-13-17(24-21-22)20-18(23)19-16-10-6-3-7-11-16/h2-11,13-14H,12H2,1H3,(H-,19,20,21,23)/i3D,6D,7D,10D,11D
C18H13D5N4O2327.39192600
5473778

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C18H18N4O2/c1-14(12-15-8-4-2-5-9-15)22-13-17(24-21-22)20-18(23)19-16-10-6-3-7-11-16/h2-11,13-14H,12H2,1H3,(H-,19,20,21,23)/p+1/t14-/m1/s1
C18H19N4O2323.36852100
107445239

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C18H18N4O2/c1-14(12-15-8-4-2-5-9-15)22-13-17(24-21-22)20-18(23)19-16-10-6-3-7-11-16/h2-11,13-14H,12H2,1H3,(H-,19,20,21,23)/t14-/m1/s1/i3D,6D,7D,10D,11D
C18H13D5N4O2327.39191200
107445240

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C18H18N4O2/c1-14(12-15-8-4-2-5-9-15)22-13-17(24-21-22)20-18(23)19-16-10-6-3-7-11-16/h2-11,13-14H,12H2,1H3,(H-,19,20,21,23)/t14-/m0/s1/i3D,6D,7D,10D,11D
C18H13D5N4O2327.39191200

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