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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 19 results

Search term: OMFRMAHOUUJSGP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4445165

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-
C23H22ClF3O2422.867789646178429579445
4946900

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-/t18-,20-/m0/s1
C23H22ClF3O2422.8678395100
9114004

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-/t18-,20-/m1/s1
C23H22ClF3O2422.8678344800
49574

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3
C23H22ClF3O2422.8678192300
23089712

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12+/t18-,20+/m1/s1
C23H22ClF3O2422.86781073089
48058781

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-/t18-,20+/m0/s1
C23H22ClF3O2422.867881100
40129293

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-/t18-,20-/m0/s1/i4D,5D,6D,8D,9D
C23H17D5ClF3O2427.89867900
57618114

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/t18-,20-/m1/s1
C23H22ClF3O2422.86783100
58781091

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-/t18-,20+/m0/s1/i4D,5D,6D,8D,9D
C23H17D5ClF3O2427.89863500
62803578

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/t18-,20+/m0/s1
C23H22ClF3O2422.86782100
57643608

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-/t18-,20+/m1/s1
C23H22ClF3O2422.86782300
57577024

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/t18-,20+/m1/s1
C23H22ClF3O2422.86782200
34532840

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-/t18-,20?/m1/s1
C23H22ClF3O2422.86782200
95601622

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/t18-,20-/m0/s1
C23H22ClF3O2422.86782200
111312919

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-/t18-,20+/m1/s1/i4D,5D,6D,8D,9D
C23H17D5ClF3O2427.89861100
34978305

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12+/t18-,20+/m0/s1
C23H22ClF3O2422.86781100
18557177

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12+/t18-,20-/m0/s1
C23H22ClF3O2422.86781100
71047708

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-/i20+2
C2214CH22ClF3O2424.86031100
71048142

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-/i4+2,5+2,6+2,7+2,8+2,9+2,10+2,11+2,14+2,15+2,16+2,17+2
C1114C12H22ClF3O2446.77831100

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