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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 16 results

Search term: ZIWNJZLXPXFNGN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4470879

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C22H36O3/c1-2-3-6-9-20(23)13-12-18-14-17-15-19(16-17)21(18)10-7-4-5-8-11-22(24)25/h4,7,12-13,17-21,23H,2-3,5-6,8-11,14-16H2,1H3,(H,24,25)/b7-4-,13-12+/t17?,18-,19?,20-,21+/m0/s1
C22H36O3348.51944171300
29341982

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H36O3/c1-2-3-6-9-20(23)13-12-18-14-17-15-19(16-17)21(18)10-7-4-5-8-11-22(24)25/h4,7,12-13,17-21,23H,2-3,5-6,8-11,14-16H2,1H3,(H,24,25)/b7-4-,13-12+/t17-,18-,19+,20-,21+/m0/s1
C22H36O3348.5194111200
29361787

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H36O3/c1-2-3-6-9-20(23)13-12-18-14-17-15-19(16-17)21(18)10-7-4-5-8-11-22(24)25/h4,7,12-13,17-21,23H,2-3,5-6,8-11,14-16H2,1H3,(H,24,25)/b7-4-,13-12+/t17-,18?,19+,20-,21+/m0/s1
C22H36O3348.51948600
4942848

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C22H36O3/c1-2-3-6-9-20(23)13-12-18-14-17-15-19(16-17)21(18)10-7-4-5-8-11-22(24)25/h4,7,12-13,17-21,23H,2-3,5-6,8-11,14-16H2,1H3,(H,24,25)/b7-4-,13-12+/t17?,18-,19?,20-,21+/m1/s1
C22H36O3348.51945400
84453909

Double-bond stereo

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C22H36O3/c1-2-3-6-9-20(23)13-12-18-14-17-15-19(16-17)21(18)10-7-4-5-8-11-22(24)25/h4,7,12-13,17-21,23H,2-3,5-6,8-11,14-16H2,1H3,(H,24,25)/b7-4+,13-12+/t17?,18-,19?,20?,21?/m0/s1
C22H36O3348.51944300
88298881

Double-bond stereo

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C22H36O3/c1-2-3-6-9-20(23)13-12-18-14-17-15-19(16-17)21(18)10-7-4-5-8-11-22(24)25/h4,7,12-13,17-21,23H,2-3,5-6,8-11,14-16H2,1H3,(H,24,25)/b7-4-,13-12+/t17?,18-,19?,20?,21-/m1/s1
C22H36O3348.51943200
1165

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C22H36O3/c1-2-3-6-9-20(23)13-12-18-14-17-15-19(16-17)21(18)10-7-4-5-8-11-22(24)25/h4,7,12-13,17-21,23H,2-3,5-6,8-11,14-16H2,1H3,(H,24,25)
C22H36O3348.51942100
4947238

Double-bond stereo

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C22H36O3/c1-2-3-6-9-20(23)13-12-18-14-17-15-19(16-17)21(18)10-7-4-5-8-11-22(24)25/h4,7,12-13,17-21,23H,2-3,5-6,8-11,14-16H2,1H3,(H,24,25)/b7-4-,13-12+/t17?,18-,19?,20?,21-/m0/s1
C22H36O3348.51942200
8196258

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C22H36O3/c1-2-3-6-9-20(23)13-12-18-14-17-15-19(16-17)21(18)10-7-4-5-8-11-22(24)25/h4,7,12-13,17-21,23H,2-3,5-6,8-11,14-16H2,1H3,(H,24,25)/b7-4-,13-12+/t17?,18-,19?,20+,21+/m1/s1
C22H36O3348.51942100
8241907

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C22H36O3/c1-2-3-6-9-20(23)13-12-18-14-17-15-19(16-17)21(18)10-7-4-5-8-11-22(24)25/h4,7,12-13,17-21,23H,2-3,5-6,8-11,14-16H2,1H3,(H,24,25)/b7-4-,13-12+
C22H36O3348.51942100
8840783

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C22H36O3/c1-2-3-6-9-20(23)13-12-18-14-17-15-19(16-17)21(18)10-7-4-5-8-11-22(24)25/h4,7,12-13,17-21,23H,2-3,5-6,8-11,14-16H2,1H3,(H,24,25)/b7-4-,13-12+/t17?,18-,19?,20+,21-/m1/s1
C22H36O3348.51942100
8911842

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C22H36O3/c1-2-3-6-9-20(23)13-12-18-14-17-15-19(16-17)21(18)10-7-4-5-8-11-22(24)25/h4,7,12-13,17-21,23H,2-3,5-6,8-11,14-16H2,1H3,(H,24,25)/b7-4-,13-12+/t17?,18-,19?,20-,21-/m0/s1
C22H36O3348.51942100
57643504

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H36O3/c1-2-3-6-9-20(23)13-12-18-14-17-15-19(16-17)21(18)10-7-4-5-8-11-22(24)25/h4,7,12-13,17-21,23H,2-3,5-6,8-11,14-16H2,1H3,(H,24,25)/b7-4-,13-12+/t17-,18-,19+,20-,21+/m1/s1
C22H36O3348.51942200
73994787

Double-bond stereo

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C22H36O3/c1-2-3-6-9-20(23)13-12-18-14-17-15-19(16-17)21(18)10-7-4-5-8-11-22(24)25/h4,7,12-13,17-21,23H,2-3,5-6,8-11,14-16H2,1H3,(H,24,25)/b7-4-,13-12+/t17?,18?,19?,20-,21+/m0/s1
C22H36O3348.51941100
114814162

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H36O3/c1-2-3-6-9-20(23)13-12-18-14-17-15-19(16-17)21(18)10-7-4-5-8-11-22(24)25/h4,7,12-13,17-21,23H,2-3,5-6,8-11,14-16H2,1H3,(H,24,25)/b7-4+,13-12u/t17-,18?,19+,20-,21-/m0/s1
C22H36O3348.51941100

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