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 10 results

Search term: RZRNAYUHWVFMIP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4446588

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
C21H40O4356.53999915339056
4516959

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9+
C21H40O4356.53995338800
23010051

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m0/s1
C21H40O4356.5399264000
9625998

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m1/s1
C21H40O4356.5399198000
21428104

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9+/t20-/m1/s1
C21H40O4356.5399142200
30773450

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/i18D2,19D2,20D
C21H35D5O4361.5707111000
30563

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3
C21H40O4356.53996500
115006624

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/i1D3,2D2,3D2
C21H33D7O4363.5832200
61710148

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/t20-/m1/s1
C21H40O4356.53991300
107433853

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9+/i18D2,19D2,20D
C21H35D5O4361.57071100

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