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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 25 results

Search term: UKQNIEMKORIOQM (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
23942015

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H37NO4/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)16-17/h5-8,10-14,17-18,21-25,30-31,33H,3,9,15-16H2,1-2,4H3,(H,29,32)/b12-8+,14-13+/t17-,18+,21-,22-,23+,24-,25+,27+,28+/m0/s1
C28H37NO4451.5977101600
35467242

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C28H37NO4/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)16-17/h5-8,10-14,17-18,21-25,30-31,33H,3,9,15-16H2,1-2,4H3,(H,29,32)/b12-8-,14-13-
C28H37NO4451.59778600
35519221

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H37NO4/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)16-17/h5-8,10-14,17-18,21-25,30-31,33H,3,9,15-16H2,1-2,4H3,(H,29,32)/b12-8-,14-13-/t17-,18+,21-,22-,23+,24-,25+,27-,28+/m0/s1
C28H37NO4451.59775300
4939383

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C28H37NO4/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)16-17/h5-8,10-14,17-18,21-25,30-31,33H,3,9,15-16H2,1-2,4H3,(H,29,32)/b12-8+,14-13+/t17-,18+,21-,22-,23+,24-,25+,27-,28?/m0/s1
C28H37NO4451.59775400
4939427

Double-bond stereo

5 of 9 defined stereocentres - 5/9 defined
InChI=1/C28H37NO4/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)16-17/h5-8,10-14,17-18,21-25,30-31,33H,3,9,15-16H2,1-2,4H3,(H,29,32)/b12-8+,14-13+/t17?,18-,21+,22+,23-,24+,25?,27?,28?/m1/s1
C28H37NO4451.59775500
16736232

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C28H37NO4/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)16-17/h5-8,10-14,17-18,21-25,30-31,33H,3,9,15-16H2,1-2,4H3,(H,29,32)/b12-8-,14-13+
C28H37NO4451.59773300
28584919

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C28H37NO4/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)16-17/h5-8,10-14,17-18,21-25,30-31,33H,3,9,15-16H2,1-2,4H3,(H,29,32)/b12-8+,14-13+
C28H37NO4451.59773200
30988544

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C28H37NO4/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)16-17/h5-8,10-14,17-18,21-25,30-31,33H,3,9,15-16H2,1-2,4H3,(H,29,32)/b12-8-,14-13-/t17-,18+,21-,22-,23+,24-,25+,27-,28?/m0/s1
C28H37NO4451.59773200
2793196

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C28H37NO4/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)16-17/h5-8,10-14,17-18,21-25,30-31,33H,3,9,15-16H2,1-2,4H3,(H,29,32)
C28H37NO4451.597683200
103846878

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H37NO4/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)16-17/h5-8,10-14,17-18,21-25,30-31,33H,3,9,15-16H2,1-2,4H3,(H,29,32)/b12-8+,14-13+/t17-,18+,21-,22-,23+,24-,25+,27-,28-/m0/s1
C28H37NO4451.59772200
49070795

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H37NO4/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)16-17/h5-8,10-14,17-18,21-25,30-31,33H,3,9,15-16H2,1-2,4H3,(H,29,32)/b12-8-,14-13-/t17-,18+,21-,22-,23+,24-,25+,27+,28+/m0/s1
C28H37NO4451.59772200
71048661

Double-bond stereo

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C28H37NO4/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)16-17/h5-8,10-14,17-18,21-25,30-31,33H,3,9,15-16H2,1-2,4H3,(H,29,32)/b12-8+,14-13+/t17-,18+,21-,22-,23?,24?,25+,27-,28?/m0/s1
C28H37NO4451.59772200
78433283

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C28H37NO4/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)16-17/h5-8,10-14,17-18,21-25,30-31,33H,3,9,15-16H2,1-2,4H3,(H,29,32)/b12-8+,14-13+/t17-,18+,21?,22-,23+,24-,25+,27-,28?/m0/s1
C28H37NO4451.59771100
78433284

Double-bond stereo

4 of 9 defined stereocentres - 4/9 defined
InChI=1/C28H37NO4/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)16-17/h5-8,10-14,17-18,21-25,30-31,33H,3,9,15-16H2,1-2,4H3,(H,29,32)/b12-8+,14-13+/t17?,18-,21?,22+,23-,24+,25?,27?,28?/m1/s1
C28H37NO4451.59771100
78433451

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C28H37NO4/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)16-17/h5-8,10-14,17-18,21-25,30-31,33H,3,9,15-16H2,1-2,4H3,(H,29,32)/b12-8-,14-13-/t17-,18+,21-,22-,23+,24-,25+,27+,28?/m0/s1
C28H37NO4451.59771100
78433527

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H37NO4/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)16-17/h5-8,10-14,17-18,21-25,30-31,33H,3,9,15-16H2,1-2,4H3,(H,29,32)/b12-8+,14-13u/t17-,18+,21-,22-,23+,24-,25+,27+,28+/m0/s1
C28H37NO4451.59771100
110804042

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C28H37NO4/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)16-17/h5-8,10-14,17-18,21-25,30-31,33H,3,9,15-16H2,1-2,4H3,(H,29,32)/b12-8+,14-13+/t17?,18-,21+,22-,23-,24+,25-,27+,28+/m1/s1
C28H37NO4451.59771100
114816236

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H37NO4/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)16-17/h5-8,10-14,17-18,21-25,30-31,33H,3,9,15-16H2,1-2,4H3,(H,29,32)/b12-8-,14-13-/t17-,18+,21-,22+,23+,24-,25+,27+,28-/m0/s1
C28H37NO4451.59771100
118210135

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H37NO4/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)16-17/h5-8,10-14,17-18,21-25,30-31,33H,3,9,15-16H2,1-2,4H3,(H,29,32)/b12-8+,14-13+/t17-,18+,21+,22-,23+,24+,25+,27-,28-/m0/s1
C28H37NO4451.59771100
128925806

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H37NO4/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)16-17/h5-8,10-14,17-18,21-25,30-31,33H,3,9,15-16H2,1-2,4H3,(H,29,32)/b12-8-,14-13-/t17-,18+,21-,22+,23+,24-,25+,27-,28-/m0/s1
C28H37NO4451.59771100
12

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