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 21 results

Search term: YSXKPIUOCJLQIE (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2289

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2
C21H29NO311.4611794043482
4470568

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2/t17-,18+,20?,21?/m1/s1
C21H29NO311.46106192300
9395709

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2/t17-,18+,20+,21-/m0/s1
C21H29NO311.46116600
31132159

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2/t17-,18+,20+,21?/m1/s1
C21H29NO311.46115700
32700824

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2/t17-,18+,20-,21?/m0/s1
C21H29NO311.46113500
32699164

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2/t17-,18+,20+,21?/m0/s1
C21H29NO311.46112400
32699506

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2/t17-,18+,20-,21?/m1/s1
C21H29NO311.46112400
34993228

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2/t17-,18+,20-,21-/m0/s1
C21H29NO311.46112700
34993229

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2/t17-,18+,20-,21-/m1/s1
C21H29NO311.46112200
58164385

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2/t17-,18+,20?,21?/m0/s1
C21H29NO311.46112200
114877011

0 of 4 defined stereocentres - 0/4 defined

Non-standard isotope
InChI=1/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2/i1D,3D,4D,7D,8D
C21H24D5NO316.49192200
115052306

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2/t17-,18-,20?,21?/m1/s1
C21H29NO311.46112200
115009297

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2/t17-,18+,20+,21+/m1/s1/i1D,3D,4D,7D,8D
C21H24D5NO316.49191100
115009298

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2/t17-,18+,20-,21-/m0/s1/i1D,3D,4D,7D,8D
C21H24D5NO316.49191100
115009299

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2/t17-,18+,20+,21-/m0/s1/i1D,3D,4D,7D,8D
C21H24D5NO316.49191100
34989271

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2/t17-,18+,20+,21-/m1/s1
C21H29NO311.46111100
34990332

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2/t17-,18+,20-,21+/m1/s1
C21H29NO311.46111100
34990333

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2/t17-,18+,20-,21+/m0/s1
C21H29NO311.46111100
12

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