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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 26 results

Search term: CRDZYJSQHCXHEG (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
13171083

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/b7-5-,9-8+,10-3-,11-6-,17-12-,18-13+/t20-,21+/m0/s1
C22H32O4360.487125521115
9842387

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/b7-5-,9-8-,10-3-,11-6-,17-12+,18-13+/t20-,21-/m0/s1
C22H32O4360.4871241800
76963156

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/b7-5-,9-8+,10-3-,11-6-,17-12-,18-13+/t20-,21-/m1/s1
C22H32O4360.48716700
95774537

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/b7-5+,9-8u,10-3+,11-6+,17-12u,18-13+
C22H32O4360.48715600
8265476

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/b7-5-,9-8+,10-3-,11-6-,17-12-,18-13+/t20-,21?/m0/s1
C22H32O4360.48713200
10176673

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/b7-5-,9-8+,10-3-,11-6-,17-12+,18-13+
C22H32O4360.48713200
9856731

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/b7-5-,9-8-,10-3-,11-6-,17-12+,18-13+
C22H32O4360.48712100
24822089

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/b7-5-,9-8+,10-3-,11-6-,17-12+,18-13+/t20-,21+/m0/s1
C22H32O4360.48712200
95600704

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/b7-5+,9-8u,10-3+,11-6+,17-12u,18-13+/t20-,21-/m0/s1
C22H32O4360.48712200
114876965

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/b7-5-,9-8+,10-3-,11-6-,17-12-,18-13+/t20-,21+/m0/s1/i1D3,2D2
C22H27D5O4365.51792200
65324302

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/b7-5-,9-8+,10-3-,11-6-,17-12-,18-13+
C22H32O4360.48712200
128920290

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/p-1/b7-5-,9-8+,10-3-,11-6-,17-12-,18-13+/t20-,21+/m0/s1
C22H31O4359.47971100
95774536

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/b7-5-,9-8+,10-3+,11-6+,17-12+,18-13+
C22H32O4360.48711100
76963157

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/p-1/b7-5-,9-8+,10-3-,11-6-,17-12-,18-13+/t20-,21-/m1/s1
C22H31O4359.47971200
107450145

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/b7-5-,9-8+,10-3-,11-6-,17-12-,18-13-/t20-,21?/m0/s1
C22H32O4360.48711100
109486235

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/b7-5+,9-8+,10-3+,11-6+,17-12+,18-13+/t20-,21-/m0/s1
C22H32O4360.48711100
111310002

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/b7-5-,9-8-,10-3-,11-6-,17-12+,18-13+/t20-,21-/m1/s1
C22H32O4360.48711100
57528146

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/t20-,21-/m0/s1
C22H32O4360.48711100
59696945

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/b7-5+,9-8+,10-3+,11-6+,17-12+,18-13+/t20-,21+/m0/s1
C22H32O4360.48711100
12

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