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 33 results

Search term: UJVLDDZCTMKXJK (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
13192

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1
C22H28O3340.45599810923
282625

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3
C22H28O3340.45591820500
17466466

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17?,18?,20+,21+,22-/m1/s1
C22H28O3340.455911500
5142883

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16?,17?,18?,20-,21-,22+/m0/s1
C22H28O3340.45597500
24541413

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17-,18-,20+,21+,22+/m1/s1
C22H28O3340.45595200
94270007

4 of 6 defined stereocentres - 4/6 defined

Non-standard isotope
InChI=1/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17?,18?,20+,21+,22-/m1/s1/i4D,5D2,8D2,13D,16D
C22H21D7O3347.49914300
110416107

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1/i5D2,8D2
C22H24D4O3344.48063400
5417034

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17-,18-,20+,21+,22-/m1/s1
C22H28O3340.45593100
5441454

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17-,18+,20+,21+,22-/m1/s1
C22H28O3340.45592100
5441455

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18-,20+,21+,22-/m1/s1
C22H28O3340.45592100
580847

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18-,20+,21-,22-/m0/s1
C22H28O3340.45592100
808758

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17-,18+,20+,21-,22-/m0/s1
C22H28O3340.45592100
1394002

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+,20+,21-,22-/m0/s1
C22H28O3340.45592100
1394003

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17-,18-,20+,21-,22-/m0/s1
C22H28O3340.45592100
62625426

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17-,18+,20+,21+,22-/m0/s1
C22H28O3340.45592200
62634409

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18-,20-,21-,22+/m1/s1
C22H28O3340.45592200
62634414

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+,20-,21+,22-/m1/s1
C22H28O3340.45592200
62634418

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17-,18-,20-,21-,22-/m1/s1
C22H28O3340.45592200
62634420

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17-,18-,20-,21-,22+/m1/s1
C22H28O3340.45592200
62634423

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+,20-,21-,22+/m1/s1
C22H28O3340.45592200
12

Advertisement