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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 44 results

Search term: VJGGHXVGBSZVMZ (Found by InChIKey (skeleton match))
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4470590

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1
C22H29ClO6424.915159796915
35294209

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1-,11-10+/t16-,18+,19+,20-,21+/m0/s1
C22H29ClO6424.9151131200
10732737

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1+,11-10+
C22H29ClO6424.91511239700
17237975

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m0/s1
C22H29ClO6424.9151121100
48063591

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1+,11-10+/t16-,18-,19-,20+,21-/m1/s1
C22H29ClO6424.91519900
72390812

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1+,11-10u
C22H29ClO6424.915171900
5042510

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/t16-,18-,19-,20+,21-/m1/s1
C22H29ClO6424.91516500
21467547

Double-bond stereo

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1-,11-10+/t16-,18?,19+,20?,21?/m0/s1
C22H29ClO6424.91516400
2706

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)
C22H29ClO6424.91516400
4952672

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1-,11-10+/t16?,18-,19-,20+,21+/m1/s1
C22H29ClO6424.91515400
21927674

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1-,11-10+
C22H29ClO6424.91515400
4939198

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1-,11-10+/t16-,18-,19?,20+,21-/m1/s1
C22H29ClO6424.91514400
21467854

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1+,11-10+/t16-,18-,19-,20?,21?/m1/s1
C22H29ClO6424.91514300
29341349

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1-,11-10?/t16-,18-,19-,20+,21-/m1/s1
C22H29ClO6424.91513200
78433349

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1-,11-10+/t16?,18-,19-,20+,21-/m1/s1
C22H29ClO6424.91512200
28426475

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1+,11-10?/t16?,18-,19-,20+,21-/m1/s1
C22H29ClO6424.91512100
8107798

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1+,11-10+/t16?,18-,19?,20+,21-/m1/s1
C22H29ClO6424.91512100
57620028

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1+,11-10u/t16-,18+,19+,20-,21+/m0/s1
C22H29ClO6424.91512100
78315377

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1-,11-10+/t16-,18-,19+,20+,21-/m0/s1
C22H29ClO6424.91511200
123

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