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 3 results

Search term: WHHSERXNOPRNLD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
107758

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H23ClN2O8/c1-21(15-10(23)4-5-11(26)13(15)20(31)33-21)8-6-9-16(25(2)3)17(28)14(19(24)30)18(29)22(9,32)12(27)7-8/h4-5,8-9,16,26,30,32H,6-7,24H2,1-3H3/t8-,9-,16-,21-,22-/m0/s1
C22H23ClN2O8478.87962100
4588986

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H23ClN2O8/c1-21(15-10(23)4-5-11(26)13(15)20(31)33-21)8-6-9-16(25(2)3)17(28)14(19(24)30)18(29)22(9,32)12(27)7-8/h4-5,8-9,16,26,30,32H,6-7,24H2,1-3H3/b19-14-/t8-,9-,16-,21-,22-/m0/s1
C22H23ClN2O8478.87962200
5496253

Charge

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H23ClN2O8/c1-21(15-10(23)4-5-11(26)13(15)20(31)33-21)8-6-9-16(25(2)3)17(28)14(19(24)30)18(29)22(9,32)12(27)7-8/h4-5,8-9,16,26,30,32H,6-7,24H2,1-3H3/p+1/t8-,9-,16-,21-,22-/m0/s1
C22H24ClN2O8479.8871100

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