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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 21 results

Search term: WKPWGQKGSOKKOO (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10274768

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/b12-10+,18-11+/t19-,20+,25+,26-,27+,30+,33+,34+/m1/s1
C34H46ClN3O10692.1961363900
32698877

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/b12-10-,18-11-/t19-,20+,25+,26-,27+,30+,33+,34+/m1/s1
C34H46ClN3O10692.1961171700
4445135

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/b12-10+,18-11-/t19-,20+,25+,26-,27+,30+,33+,34+/m1/s1
C34H46ClN3O10692.196139999998111200
24703913

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/b12-10+,18-11+/t19-,20+,25+,26-,27+,30+,33-,34+/m1/s1
C34H46ClN3O10692.196171000
4477639

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/b12-10+,18-11-/t19-,20+,25+,26-,27+,30-,33+,34+/m1/s1
C34H46ClN3O10692.19613200
4517340

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/b12-10+,18-11-
C34H46ClN3O10692.1961310400
52563396

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/b12-10-,18-11-/t19-,20+,25+,26-,27+,30+,33-,34+/m1/s1
C34H46ClN3O10692.19613100
2271974

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/t19-,20+,25+,26-,27+,30-,33+,34+/m1/s1
C34H46ClN3O10692.1961399999982100
4742304

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/b12-10-,18-11-
C34H46ClN3O10692.19612200
4978531

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/b12-10+,18-11-/t19-,20-,25+,26-,27+,30+,33+,34+/m1/s1
C34H46ClN3O10692.19612200
5145073

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/t19-,20-,25+,26-,27-,30+,33-,34+/m0/s1
C34H46ClN3O10692.19612100
8137235

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/b12-10+,18-11-/t19-,20-,25+,26-,27+,30-,33+,34+/m1/s1
C34H46ClN3O10692.19612100
24828753

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/b12-10+,18-11-/t19-,20+,25+,26?,27+,30+,33+,34+/m1/s1
C34H46ClN3O10692.19611100
25016341

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/b12-10-,18-11+/t19-,20+,25+,26-,27+,30+,33+,34+/m1/s1
C34H46ClN3O10692.19611100
13183591

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/b12-10+,18-11-/t19-,20-,25-,26+,27+,30+,33-,34-/m0/s1
C34H46ClN3O10692.19611200
110804046

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/b12-10+,18-11-/t19-,20+,25+,26-,27?,30+,33+,34+/m1/s1
C34H46ClN3O10692.19611100
128924974

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/b12-10-,18-11-/t19-,20+,25+,26-,27+,30+,33+,34-/m1/s1
C34H46ClN3O10692.19611100
34526700

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/b12-10+,18-11+/t19-,20-,25+,26+,27-,30+,33+,34+/m1/s1
C34H46ClN3O10692.19611100
12

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