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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 18 results

Search term: IKFAUGXNBOBQDM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9558223

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H32O5/c1-2-3-9-16-20(24)21(25)17-12-7-5-4-6-10-14-19(23)15-11-8-13-18-22(26)27/h3-12,14,17,19-21,23-25H,2,13,15-16,18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,11-8-,14-10+,17-12+/t19-,20+,21-/m1/s1
C22H32O5376.4865232200
17216185

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C22H32O5/c1-2-3-9-16-20(24)21(25)17-12-7-5-4-6-10-14-19(23)15-11-8-13-18-22(26)27/h3-12,14,17,19-21,23-25H,2,13,15-16,18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,11-8-,14-10+,17-12+/t19-,20-,21?/m0/s1
C22H32O5376.486591030
29341937

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C22H32O5/c1-2-3-9-16-20(24)21(25)17-12-7-5-4-6-10-14-19(23)15-11-8-13-18-22(26)27/h3-12,14,17,19-21,23-25H,2,13,15-16,18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,11-8-,14-10+,17-12+/t19-,20+,21-/m1/s1/i1D3,2D2
C22H27D5O5381.51737700
95638631

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C22H32O5/c1-2-3-9-16-20(24)21(25)17-12-7-5-4-6-10-14-19(23)15-11-8-13-18-22(26)27/h3-12,14,17,19-21,23-25H,2,13,15-16,18H2,1H3,(H,26,27)/b6-4u,7-5u,9-3+,11-8+,14-10+,17-12u
C22H32O5376.48655600
8605053

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H32O5/c1-2-3-9-16-20(24)21(25)17-12-7-5-4-6-10-14-19(23)15-11-8-13-18-22(26)27/h3-12,14,17,19-21,23-25H,2,13,15-16,18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,11-8-,14-10+,17-12+/t19-,20-,21+/m0/s1
C22H32O5376.48652100
28583290

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C22H32O5/c1-2-3-9-16-20(24)21(25)17-12-7-5-4-6-10-14-19(23)15-11-8-13-18-22(26)27/h3-12,14,17,19-21,23-25H,2,13,15-16,18H2,1H3,(H,26,27)/b6-4+,7-5+,9-3+,11-8+,14-10+,17-12+
C22H32O5376.48652100
64808328

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H32O5/c1-2-3-9-16-20(24)21(25)17-12-7-5-4-6-10-14-19(23)15-11-8-13-18-22(26)27/h3-12,14,17,19-21,23-25H,2,13,15-16,18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,11-8-,14-10+,17-12+/t19-,20+,21+/m0/s1
C22H32O5376.48652300
95601080

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C22H32O5/c1-2-3-9-16-20(24)21(25)17-12-7-5-4-6-10-14-19(23)15-11-8-13-18-22(26)27/h3-12,14,17,19-21,23-25H,2,13,15-16,18H2,1H3,(H,26,27)/b6-4u,7-5u,9-3+,11-8+,14-10u,17-12+/t19-,20-,21?/m0/s1
C22H32O5376.48651100
57491095

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C22H32O5/c1-2-3-9-16-20(24)21(25)17-12-7-5-4-6-10-14-19(23)15-11-8-13-18-22(26)27/h3-12,14,17,19-21,23-25H,2,13,15-16,18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,11-8-,14-10+,17-12+/t19-,20+,21?/m1/s1
C22H32O5376.48651100
58170383

Charge

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H32O5/c1-2-3-9-16-20(24)21(25)17-12-7-5-4-6-10-14-19(23)15-11-8-13-18-22(26)27/h3-12,14,17,19-21,23-25H,2,13,15-16,18H2,1H3,(H,26,27)/p-1/b6-4-,7-5+,9-3-,11-8-,14-10+,17-12+/t19-,20+,21-/m1/s1
C22H31O5375.47911100
59696930

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C22H32O5/c1-2-3-9-16-20(24)21(25)17-12-7-5-4-6-10-14-19(23)15-11-8-13-18-22(26)27/h3-12,14,17,19-21,23-25H,2,13,15-16,18H2,1H3,(H,26,27)/b6-4+,7-5+,9-3+,11-8+,14-10+,17-12+/t19-,20-,21?/m0/s1
C22H32O5376.48651100
111310003

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H32O5/c1-2-3-9-16-20(24)21(25)17-12-7-5-4-6-10-14-19(23)15-11-8-13-18-22(26)27/h3-12,14,17,19-21,23-25H,2,13,15-16,18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,11-8-,14-10+,17-12+/t19-,20+,21-/m0/s1
C22H32O5376.48651100
113371050

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H32O5/c1-2-3-9-16-20(24)21(25)17-12-7-5-4-6-10-14-19(23)15-11-8-13-18-22(26)27/h3-12,14,17,19-21,23-25H,2,13,15-16,18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,11-8-,14-10+,17-12+/t19-,20-,21-/m1/s1
C22H32O5376.48651100
129307552

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C22H32O5/c1-2-3-9-16-20(24)21(25)17-12-7-5-4-6-10-14-19(23)15-11-8-13-18-22(26)27/h3-12,14,17,19-21,23-25H,2,13,15-16,18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,11-8-,14-10+,17-12+
C22H32O5376.48651100

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