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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: HLHYXXBCQOUTGK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
29341935

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H32O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h3-4,6-13,16-17,20-21,23-24H,2,5,14-15,18-19H2,1H3,(H,25,26)/b4-3-,8-7+,10-6-,13-9-,16-11-,17-12+/t20-,21-/m0/s1
C22H32O4360.4871181900
48063620

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H32O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h3-4,6-13,16-17,20-21,23-24H,2,5,14-15,18-19H2,1H3,(H,25,26)/b4-3-,8-7+,10-6-,13-9-,16-11-,17-12+/t20-,21+/m0/s1
C22H32O4360.48719800
95557141

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H32O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h3-4,6-13,16-17,20-21,23-24H,2,5,14-15,18-19H2,1H3,(H,25,26)/b4-3+,8-7u,10-6+,13-9+,16-11u,17-12+
C22H32O4360.48715700
68003967

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C22H32O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h3-4,6-13,16-17,20-21,23-24H,2,5,14-15,18-19H2,1H3,(H,25,26)/b4-3-,8-7+,10-6-,13-9-,16-11-,17-12+/t20-,21-/m0/s1/i1D3,2D2
C22H27D5O4365.51794600
95601002

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H32O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h3-4,6-13,16-17,20-21,23-24H,2,5,14-15,18-19H2,1H3,(H,25,26)/b4-3+,8-7u,10-6+,13-9+,16-11u,17-12+/t20-,21-/m1/s1
C22H32O4360.48713200
76963154

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H32O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h3-4,6-13,16-17,20-21,23-24H,2,5,14-15,18-19H2,1H3,(H,25,26)/b4-3-,8-7-,10-6-,13-9-,16-11+,17-12+/t20-,21+/m0/s1
C22H32O4360.48712300
35294497

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H32O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h3-4,6-13,16-17,20-21,23-24H,2,5,14-15,18-19H2,1H3,(H,25,26)/b4-3-,8-7-,10-6-,13-9-,16-11-,17-12+/t20-,21-/m1/s1
C22H32O4360.48712100
9849647

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H32O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h3-4,6-13,16-17,20-21,23-24H,2,5,14-15,18-19H2,1H3,(H,25,26)/b4-3-,8-7-,10-6-,13-9-,16-11+,17-12+
C22H32O4360.48712100
24841885

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H32O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h3-4,6-13,16-17,20-21,23-24H,2,5,14-15,18-19H2,1H3,(H,25,26)/b4-3-,8-7+,10-6-,13-9-,16-11+,17-12+/t20-,21+/m0/s1
C22H32O4360.48712200
28587242

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H32O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h3-4,6-13,16-17,20-21,23-24H,2,5,14-15,18-19H2,1H3,(H,25,26)/b4-3+,8-7+,10-6+,13-9+,16-11+,17-12+
C22H32O4360.48712100
76962989

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H32O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h3-4,6-13,16-17,20-21,23-24H,2,5,14-15,18-19H2,1H3,(H,25,26)/p-1/b4-3-,8-7+,10-6-,13-9-,16-11-,17-12+/t20-,21-/m0/s1
C22H31O4359.47971200
57528153

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H32O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h3-4,6-13,16-17,20-21,23-24H,2,5,14-15,18-19H2,1H3,(H,25,26)/t20-,21-/m1/s1
C22H32O4360.48711100
76963197

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H32O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h3-4,6-13,16-17,20-21,23-24H,2,5,14-15,18-19H2,1H3,(H,25,26)/p-1/b4-3-,8-7+,10-6-,13-9-,16-11-,17-12+/t20-,21+/m0/s1
C22H31O4359.47971200
95557140

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H32O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h3-4,6-13,16-17,20-21,23-24H,2,5,14-15,18-19H2,1H3,(H,25,26)/b4-3-,8-7+,10-6+,13-9+,16-11-,17-12+
C22H32O4360.48711100

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