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 11 results

Search term: PYXOKILXRBHECR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4868074

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H19NO4/c1-14(16-7-3-2-4-8-16)18-13-19(23)22(21(18)26)17-9-5-6-15(12-17)10-11-20(24)25/h2-12,14,18H,13H2,1H3,(H,24,25)/b11-10+
C21H19NO4349.3799121000
4275708

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H19NO4/c1-14(16-7-3-2-4-8-16)18-13-19(23)22(21(18)26)17-9-5-6-15(12-17)10-11-20(24)25/h2-12,14,18H,13H2,1H3,(H,24,25)
C21H19NO4349.379863200
1479971

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H19NO4/c1-14(16-7-3-2-4-8-16)18-13-19(23)22(21(18)26)17-9-5-6-15(12-17)10-11-20(24)25/h2-12,14,18H,13H2,1H3,(H,24,25)/b11-10+/t14-,18-/m0/s1
C21H19NO4349.37992100
812115

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H19NO4/c1-14(16-7-3-2-4-8-16)18-13-19(23)22(21(18)26)17-9-5-6-15(12-17)10-11-20(24)25/h2-12,14,18H,13H2,1H3,(H,24,25)/b11-10+/t14-,18+/m1/s1
C21H19NO4349.37992100
5030705

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H19NO4/c1-14(16-7-3-2-4-8-16)18-13-19(23)22(21(18)26)17-9-5-6-15(12-17)10-11-20(24)25/h2-12,14,18H,13H2,1H3,(H,24,25)/b11-10+/t14-,18+/m0/s1
C21H19NO4349.37992100
4894788

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H19NO4/c1-14(16-7-3-2-4-8-16)18-13-19(23)22(21(18)26)17-9-5-6-15(12-17)10-11-20(24)25/h2-12,14,18H,13H2,1H3,(H,24,25)/b11-10+/t14-,18-/m1/s1
C21H19NO4349.37992100
5030704

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H19NO4/c1-14(16-7-3-2-4-8-16)18-13-19(23)22(21(18)26)17-9-5-6-15(12-17)10-11-20(24)25/h2-12,14,18H,13H2,1H3,(H,24,25)/p-1/b11-10+/t14-,18+/m0/s1
C21H18NO4348.37251100
5327409

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H19NO4/c1-14(16-7-3-2-4-8-16)18-13-19(23)22(21(18)26)17-9-5-6-15(12-17)10-11-20(24)25/h2-12,14,18H,13H2,1H3,(H,24,25)/p-1/b11-10+/t14-,18+/m1/s1
C21H18NO4348.371921100
5715739

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H19NO4/c1-14(16-7-3-2-4-8-16)18-13-19(23)22(21(18)26)17-9-5-6-15(12-17)10-11-20(24)25/h2-12,14,18H,13H2,1H3,(H,24,25)/p-1/b11-10+/t14-,18-/m1/s1
C21H18NO4348.37251100
110258716

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H19NO4/c1-14(16-7-3-2-4-8-16)18-13-19(23)22(21(18)26)17-9-5-6-15(12-17)10-11-20(24)25/h2-12,14,18H,13H2,1H3,(H,24,25)/b11-10-
C21H19NO4349.37991100
1479970

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H19NO4/c1-14(16-7-3-2-4-8-16)18-13-19(23)22(21(18)26)17-9-5-6-15(12-17)10-11-20(24)25/h2-12,14,18H,13H2,1H3,(H,24,25)/p-1/b11-10+/t14-,18-/m0/s1
C21H18NO4348.37251100

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