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 17 results

Search term: ZQHYKVKNPWDQSL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
14031

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3
C22H27NO321.455922864174
391631

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3/t16-,21+,22+/m0/s1
C22H27NO321.4559152100
2310592

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3/t16-,21+,22+/m1/s1
C22H27NO321.455991400
4470852

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3/t16?,21-,22-/m1/s1
C22H27NO321.455887500
23140147

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3/t16-,21?,22+/m0/s1
C22H27NO321.45593300
29420597

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3/t16?,21-,22-/m0/s1
C22H27NO321.45593300
2310594

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3/t16-,21-,22+/m0/s1
C22H27NO321.455883300
61758861

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3/t16-,21+,22-/m0/s1
C22H27NO321.45593300
61758862

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3/t16-,21+,22-/m1/s1
C22H27NO321.45593300
58784671

2 of 3 defined stereocentres - 2/3 defined

Non-standard isotope
InChI=1/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3/t16-,21?,22+/m0/s1/i3D,4D,5D,6D,7D
C22H22D5NO326.48672200
34254636

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3/t16-,21?,22-/m0/s1
C22H27NO321.45592200
23151408

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3/t16?,21?,22-/m1/s1
C22H27NO321.45592200
57524544

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3/t16-,21?,22?/m1/s1
C22H27NO321.45591100
91147

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3/t16-,21?,22-/m1/s1
C22H27NO321.45591100
107442394

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3/t16-,21-,22+/m0/s1/i3D,4D,5D,6D,7D
C22H22D5NO326.48671100
111311525

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3/t16-,21-,22+/m1/s1/i3D,4D,5D,6D,7D
C22H22D5NO326.48671100

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