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
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Found 37 results

Search term: XMRPGKVKISIQBV (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
83782

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16-,17+,18-,19-,20-,21+/m0/s1
C21H32O2316.47769421019659
83723

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16+,17-,18+,19+,20+,21-/m1/s1
C21H32O2316.477657100702
389575

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3
C21H32O2316.47762333900
110404

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14?,16-,17+,18-,19-,20-,21+/m0/s1
C21H32O2316.477617176842106
2103704

2 of 7 defined stereocentres - 2/7 defined
InChI=1/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16?,17?,18?,19?,20-,21?/m0/s1
C21H32O2316.477584200
8059098

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14?,16?,17-,18?,19?,20+,21-/m1/s1
C21H32O2316.47763300
10051457

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16+,17-,18+,19+,20-,21+/m0/s1
C21H32O2316.47763200
58785736

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16+,17-,18+,19+,20+,21-/m1/s1/i1D3,8D2,12D2,17D
C21H24D8O2324.52693500
64872635

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16+,17-,18+,19+,20+,21-/m0/s1
C21H32O2316.47762200
115011395

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16-,17+,18-,19-,20-,21+/m0/s1/i4D,5D,8D,10D,12D,14D/t4?,5?,8?,10?,12?,14-,16-,17+,18-,19-,20-,21+
C21H26D6O2322.51462200
10051458

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16+,17+,18+,19+,20-,21+/m0/s1
C21H32O2316.47762100
21239075

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16+,17-,18+,19-,20+,21-/m1/s1
C21H32O2316.47762100
26373347

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16+,17+,18+,19+,20+,21-/m1/s1
C21H32O2316.47762200
31106658

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16-,17?,18-,19-,20-,21+/m0/s1
C21H32O2316.47762200
58145900

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16+,17?,18+,19+,20+,21-/m1/s1
C21H32O2316.47762200
10051455

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16+,17-,18-,19+,20-,21+/m0/s1
C21H32O2316.47762100
10051456

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16+,17+,18-,19+,20-,21+/m0/s1
C21H32O2316.47762100
12

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