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 6 results

Search term: NXPCNLFQDUFGJK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
22913950

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C22H28O11/c1-12(22(29)8-17(25)32-11-22)9-31-21-20(28)19(27)18(26)15(33-21)10-30-16(24)7-4-13-2-5-14(23)6-3-13/h2-7,12,15,18-21,23,26-29H,8-11H2,1H3/b7-4+/t12?,15-,18-,19+,20-,21-,22?/m1/s1
C22H28O11468.45116300
62564762

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H28O11/c1-12(22(29)8-17(25)32-11-22)9-31-21-20(28)19(27)18(26)15(33-21)10-30-16(24)7-4-13-2-5-14(23)6-3-13/h2-7,12,15,18-21,23,26-29H,8-11H2,1H3/b7-4+/t12-,15+,18+,19-,20+,21+,22-/m0/s1
C22H28O11468.45112200
62569967

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H28O11/c1-12(22(29)8-17(25)32-11-22)9-31-21-20(28)19(27)18(26)15(33-21)10-30-16(24)7-4-13-2-5-14(23)6-3-13/h2-7,12,15,18-21,23,26-29H,8-11H2,1H3/b7-4+/t12-,15+,18+,19-,20+,21+,22+/m0/s1
C22H28O11468.45112300
62570263

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H28O11/c1-12(22(29)8-17(25)32-11-22)9-31-21-20(28)19(27)18(26)15(33-21)10-30-16(24)7-4-13-2-5-14(23)6-3-13/h2-7,12,15,18-21,23,26-29H,8-11H2,1H3/b7-4+/t12-,15-,18-,19+,20-,21-,22-/m1/s1
C22H28O11468.45112200
62605795

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H28O11/c1-12(22(29)8-17(25)32-11-22)9-31-21-20(28)19(27)18(26)15(33-21)10-30-16(24)7-4-13-2-5-14(23)6-3-13/h2-7,12,15,18-21,23,26-29H,8-11H2,1H3/b7-4+/t12-,15-,18-,19+,20-,21-,22+/m1/s1
C22H28O11468.45112200
127383821

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C22H28O11/c1-12(22(29)8-17(25)32-11-22)9-31-21-20(28)19(27)18(26)15(33-21)10-30-16(24)7-4-13-2-5-14(23)6-3-13/h2-7,12,15,18-21,23,26-29H,8-11H2,1H3/b7-4+/t12?,15-,18-,19+,20+,21-,22?/m1/s1
C22H28O11468.45111100

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