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 13 results

Search term: MIVSQBNBIGTKAZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17461094

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C22H33NO3/c1-13-6-5-7-22(4)10-20-16(9-18(13)22)17(21(25)26-20)12-23-11-14(2)19(24)8-15(23)3/h14-18,20H,1,5-12H2,2-4H3/t14?,15?,16-,17?,18+,20-,22-/m1/s1
C22H33NO3359.50235100
10046903

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H33NO3/c1-13-6-5-7-22(4)10-20-16(9-18(13)22)17(21(25)26-20)12-23-11-14(2)19(24)8-15(23)3/h14-18,20H,1,5-12H2,2-4H3/t14-,15-,16+,17+,18-,20+,22+/m0/s1
C22H33NO3359.50232100
1395166

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H33NO3/c1-13-6-5-7-22(4)10-20-16(9-18(13)22)17(21(25)26-20)12-23-11-14(2)19(24)8-15(23)3/h14-18,20H,1,5-12H2,2-4H3/t14-,15+,16-,17+,18-,20+,22+/m1/s1
C22H33NO3359.50232100
4281984

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C22H33NO3/c1-13-6-5-7-22(4)10-20-16(9-18(13)22)17(21(25)26-20)12-23-11-14(2)19(24)8-15(23)3/h14-18,20H,1,5-12H2,2-4H3
C22H33NO3359.502322100
10046897

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H33NO3/c1-13-6-5-7-22(4)10-20-16(9-18(13)22)17(21(25)26-20)12-23-11-14(2)19(24)8-15(23)3/h14-18,20H,1,5-12H2,2-4H3/t14-,15-,16-,17-,18+,20-,22-/m1/s1
C22H33NO3359.50232100
10046899

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H33NO3/c1-13-6-5-7-22(4)10-20-16(9-18(13)22)17(21(25)26-20)12-23-11-14(2)19(24)8-15(23)3/h14-18,20H,1,5-12H2,2-4H3/t14-,15+,16-,17-,18+,20-,22-/m1/s1
C22H33NO3359.50232100
10046901

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H33NO3/c1-13-6-5-7-22(4)10-20-16(9-18(13)22)17(21(25)26-20)12-23-11-14(2)19(24)8-15(23)3/h14-18,20H,1,5-12H2,2-4H3/t14-,15+,16+,17+,18-,20+,22+/m0/s1
C22H33NO3359.50232100
10046902

Charge

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H33NO3/c1-13-6-5-7-22(4)10-20-16(9-18(13)22)17(21(25)26-20)12-23-11-14(2)19(24)8-15(23)3/h14-18,20H,1,5-12H2,2-4H3/p+1/t14-,15-,16+,17+,18-,20+,22+/m0/s1
C22H34NO3360.50971100
10046900

Charge

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H33NO3/c1-13-6-5-7-22(4)10-20-16(9-18(13)22)17(21(25)26-20)12-23-11-14(2)19(24)8-15(23)3/h14-18,20H,1,5-12H2,2-4H3/p+1/t14-,15+,16+,17+,18-,20+,22+/m0/s1
C22H34NO3360.50971100
10046898

Charge

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H33NO3/c1-13-6-5-7-22(4)10-20-16(9-18(13)22)17(21(25)26-20)12-23-11-14(2)19(24)8-15(23)3/h14-18,20H,1,5-12H2,2-4H3/p+1/t14-,15+,16-,17-,18+,20-,22-/m1/s1
C22H34NO3360.50971100
10046896

Charge

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H33NO3/c1-13-6-5-7-22(4)10-20-16(9-18(13)22)17(21(25)26-20)12-23-11-14(2)19(24)8-15(23)3/h14-18,20H,1,5-12H2,2-4H3/p+1/t14-,15-,16-,17-,18+,20-,22-/m1/s1
C22H34NO3360.50971100
1395165

Charge

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H33NO3/c1-13-6-5-7-22(4)10-20-16(9-18(13)22)17(21(25)26-20)12-23-11-14(2)19(24)8-15(23)3/h14-18,20H,1,5-12H2,2-4H3/p+1/t14-,15+,16-,17+,18-,20+,22+/m1/s1
C22H34NO3360.50971100

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