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 7 results

Search term: SHCRDCOTRILILT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4444880

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H28O5/c1-7-8-9-14-13(3)17(11-16(14)22)26-20(24)18-15(21(18,4)5)10-12(2)19(23)25-6/h7-8,10,15,17-18H,9,11H2,1-6H3/b8-7-,12-10+/t15-,17+,18+/m1/s1
C21H28O5360.444252600
4475084

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H28O5/c1-7-8-9-14-13(3)17(11-16(14)22)26-20(24)18-15(21(18,4)5)10-12(2)19(23)25-6/h7-8,10,15,17-18H,9,11H2,1-6H3/b8-7+,12-10+/t15-,17+,18+/m1/s1
C21H28O5360.4448900
4520910

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H28O5/c1-7-8-9-14-13(3)17(11-16(14)22)26-20(24)18-15(21(18,4)5)10-12(2)19(23)25-6/h7-8,10,15,17-18H,9,11H2,1-6H3/b8-7+,12-10+
C21H28O5360.4447100117
497592

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H28O5/c1-7-8-9-14-13(3)17(11-16(14)22)26-20(24)18-15(21(18,4)5)10-12(2)19(23)25-6/h7-8,10,15,17-18H,9,11H2,1-6H3
C21H28O5360.4443200
4722678

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H28O5/c1-7-8-9-14-13(3)17(11-16(14)22)26-20(24)18-15(21(18,4)5)10-12(2)19(23)25-6/h7-8,10,15,17-18H,9,11H2,1-6H3/b8-7+,12-10-
C21H28O5360.4442100
4938338

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H28O5/c1-7-8-9-14-13(3)17(11-16(14)22)26-20(24)18-15(21(18,4)5)10-12(2)19(23)25-6/h7-8,10,15,17-18H,9,11H2,1-6H3/b8-7+,12-10+/t15-,17-,18+/m1/s1
C21H28O5360.4442200
9889224

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H28O5/c1-7-8-9-14-13(3)17(11-16(14)22)26-20(24)18-15(21(18,4)5)10-12(2)19(23)25-6/h7-8,10,15,17-18H,9,11H2,1-6H3/b8-7+,12-10-/t15-,17+,18+/m1/s1
C21H28O5360.4441100

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