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 12 results

Search term: INISTDXBRIBGOC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
82865

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1
C26H22ClF3N2O3502.91276685331
45805

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3
C26H22ClF3N2O3502.91275712810
160658

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m0/s1
C26H22ClF3N2O3502.9127113500
58784425

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/i3D,4D,5D,8D,9D
C26H17D5ClF3N2O3507.94353300
34996330

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23-,24-/m0/s1
C26H22ClF3N2O3502.91272200
34996331

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23-,24+/m1/s1
C26H22ClF3N2O3502.91272200
71048327

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1/i13+2
C2514CH22ClF3N2O3504.90521100
71048351

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1/i22+2
C2514CH22ClF3N2O3504.90521100
114394565

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1/i6+2,7+2,10+2,13+2,17+2,20+2
C2014C6H22ClF3N2O3514.86791100
114394566

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1/i11+2,12+2,14+2,18+2,21+2,22+2
C2014C6H22ClF3N2O3514.86791100
34993587

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23-,24-/m1/s1
C26H22ClF3N2O3502.91271200
34993588

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23-,24+/m0/s1
C26H22ClF3N2O3502.91271200

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