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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 17 results

Search term: SWTYBBUBEPPYCX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4943608

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-16,19,21,23H,2,4,9-10,17-18,20H2,1H3,(H,24,25)/b7-5-,8-6-,13-11-,14-12-,15-3-,19-16+
C22H32O3344.4877323100
32818661

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-16,19,21,23H,2,4,9-10,17-18,20H2,1H3,(H,24,25)/b7-5-,8-6-,13-11-,14-12-,15-3-,19-16+/t21-/m1/s1
C22H32O3344.4877151400
9221359

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-16,19,21,23H,2,4,9-10,17-18,20H2,1H3,(H,24,25)/b7-5-,8-6-,13-11-,14-12-,15-3-,19-16+/t21-/m0/s1
C22H32O3344.4877141100
21467504

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-16,19,21,23H,2,4,9-10,17-18,20H2,1H3,(H,24,25)/b7-5-,8-6-,13-11+,14-12-,15-3-,19-16+/t21-/m1/s1
C22H32O3344.48778400
95668453

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-16,19,21,23H,2,4,9-10,17-18,20H2,1H3,(H,24,25)/b7-5+,8-6+,13-11+,14-12+,15-3+,19-16u
C22H32O3344.48777900
20143936

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-16,19,21,23H,2,4,9-10,17-18,20H2,1H3,(H,24,25)/b7-5+,8-6+,13-11+,14-12+,15-3+,19-16+
C22H32O3344.48776600
81407849

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-16,19,21,23H,2,4,9-10,17-18,20H2,1H3,(H,24,25)/b7-5-,8-6-,13-11-,14-12-,15-3-,19-16+/t21-/m0/s1/i1D3,2D2
C22H27D5O3349.51855500
21467232

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-16,19,21,23H,2,4,9-10,17-18,20H2,1H3,(H,24,25)/b7-5-,8-6-,13-11+,14-12-,15-3-,19-16+
C22H32O3344.48774500
9741150

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-16,19,21,23H,2,4,9-10,17-18,20H2,1H3,(H,24,25)/b7-5-,8-6-,13-11-,14-12-,15-3-,19-16-
C22H32O3344.48772100
57565566

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-16,19,21,23H,2,4,9-10,17-18,20H2,1H3,(H,24,25)/t21-/m1/s1
C22H32O3344.48771100
58164093

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-16,19,21,23H,2,4,9-10,17-18,20H2,1H3,(H,24,25)/p-1/b7-5-,8-6-,13-11-,14-12-,15-3-,19-16+/t21-/m1/s1
C22H31O3343.48031100
76962456

Charge

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-16,19,21,23H,2,4,9-10,17-18,20H2,1H3,(H,24,25)/p-1/b7-5-,8-6-,13-11-,14-12-,15-3-,19-16+
C22H31O3343.48031200
95602048

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-16,19,21,23H,2,4,9-10,17-18,20H2,1H3,(H,24,25)/b7-5+,8-6+,13-11+,14-12+,15-3+,19-16u/t21-/m1/s1
C22H32O3344.48771100
95668452

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-16,19,21,23H,2,4,9-10,17-18,20H2,1H3,(H,24,25)/b7-5+,8-6+,13-11+,14-12+,15-3-,19-16+
C22H32O3344.48771100
23353580

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-16,19,21,23H,2,4,9-10,17-18,20H2,1H3,(H,24,25)
C22H32O3344.48771100
24608108

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-16,19,21,23H,2,4,9-10,17-18,20H2,1H3,(H,24,25)/b7-5-,8-6-,13-11-,14-12-,15-3+,19-16+
C22H32O3344.48771900

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