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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 23 results

Search term: XUDTWJGGQFHXCR (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
421143

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C32H52O3/c1-20(2)22-11-16-32(19-33)18-17-30(7)23(27(22)32)9-10-25-29(6)14-13-26(35-21(3)34)28(4,5)24(29)12-15-31(25,30)8/h22-27,33H,1,9-19H2,2-8H3/t22-,23+,24-,25+,26-,27+,29-,30+,31+,32+/m0/s1
C32H52O3484.7535161503
2382597

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C32H52O3/c1-20(2)22-11-16-32(19-33)18-17-30(7)23(27(22)32)9-10-25-29(6)14-13-26(35-21(3)34)28(4,5)24(29)12-15-31(25,30)8/h22-27,33H,1,9-19H2,2-8H3
C32H52O3484.75348000000110500
17462488

7 of 10 defined stereocentres - 7/10 defined
InChI=1/C32H52O3/c1-20(2)22-11-16-32(19-33)18-17-30(7)23(27(22)32)9-10-25-29(6)14-13-26(35-21(3)34)28(4,5)24(29)12-15-31(25,30)8/h22-27,33H,1,9-19H2,2-8H3/t22-,23?,24?,25?,26-,27-,29-,30+,31+,32+/m0/s1
C32H52O3484.75359500
21781471

3 of 10 defined stereocentres - 3/10 defined
InChI=1/C32H52O3/c1-20(2)22-11-16-32(19-33)18-17-30(7)23(27(22)32)9-10-25-29(6)14-13-26(35-21(3)34)28(4,5)24(29)12-15-31(25,30)8/h22-27,33H,1,9-19H2,2-8H3/t22?,23?,24?,25?,26?,27?,29-,30+,31+,32?/m0/s1
C32H52O3484.75357600
22875471

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C32H52O3/c1-20(2)22-11-16-32(19-33)18-17-30(7)23(27(22)32)9-10-25-29(6)14-13-26(35-21(3)34)28(4,5)24(29)12-15-31(25,30)8/h22-27,33H,1,9-19H2,2-8H3/t22-,23+,24?,25+,26+,27?,29-,30+,31+,32+/m0/s1
C32H52O3484.75356300
9423753

7 of 10 defined stereocentres - 7/10 defined
InChI=1/C32H52O3/c1-20(2)22-11-16-32(19-33)18-17-30(7)23(27(22)32)9-10-25-29(6)14-13-26(35-21(3)34)28(4,5)24(29)12-15-31(25,30)8/h22-27,33H,1,9-19H2,2-8H3/t22?,23-,24+,25-,26+,27?,29+,30-,31-,32?/m1/s1
C32H52O3484.75352100
9561082

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C32H52O3/c1-20(2)22-11-16-32(19-33)18-17-30(7)23(27(22)32)9-10-25-29(6)14-13-26(35-21(3)34)28(4,5)24(29)12-15-31(25,30)8/h22-27,33H,1,9-19H2,2-8H3/t22-,23+,24?,25+,26-,27?,29-,30+,31+,32+/m0/s1
C32H52O3484.75352100
62463744

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C32H52O3/c1-20(2)22-11-16-32(19-33)18-17-30(7)23(27(22)32)9-10-25-29(6)14-13-26(35-21(3)34)28(4,5)24(29)12-15-31(25,30)8/h22-27,33H,1,9-19H2,2-8H3/t22-,23+,24+,25+,26-,27-,29-,30+,31+,32+/m0/s1
C32H52O3484.75352200
62463758

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C32H52O3/c1-20(2)22-11-16-32(19-33)18-17-30(7)23(27(22)32)9-10-25-29(6)14-13-26(35-21(3)34)28(4,5)24(29)12-15-31(25,30)8/h22-27,33H,1,9-19H2,2-8H3/t22-,23+,24+,25-,26+,27+,29-,30+,31+,32+/m1/s1
C32H52O3484.75352200
62544399

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C32H52O3/c1-20(2)22-11-16-32(19-33)18-17-30(7)23(27(22)32)9-10-25-29(6)14-13-26(35-21(3)34)28(4,5)24(29)12-15-31(25,30)8/h22-27,33H,1,9-19H2,2-8H3/t22-,23+,24+,25+,26+,27+,29-,30+,31+,32+/m0/s1
C32H52O3484.75352300
62557608

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C32H52O3/c1-20(2)22-11-16-32(19-33)18-17-30(7)23(27(22)32)9-10-25-29(6)14-13-26(35-21(3)34)28(4,5)24(29)12-15-31(25,30)8/h22-27,33H,1,9-19H2,2-8H3/t22-,23+,24+,25-,26+,27+,29-,30-,31+,32+/m1/s1
C32H52O3484.75352200
62557609

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C32H52O3/c1-20(2)22-11-16-32(19-33)18-17-30(7)23(27(22)32)9-10-25-29(6)14-13-26(35-21(3)34)28(4,5)24(29)12-15-31(25,30)8/h22-27,33H,1,9-19H2,2-8H3/t22-,23+,24+,25-,26+,27+,29-,30-,31+,32-/m1/s1
C32H52O3484.75352200
62557611

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C32H52O3/c1-20(2)22-11-16-32(19-33)18-17-30(7)23(27(22)32)9-10-25-29(6)14-13-26(35-21(3)34)28(4,5)24(29)12-15-31(25,30)8/h22-27,33H,1,9-19H2,2-8H3/t22-,23+,24-,25+,26+,27+,29-,30+,31+,32+/m0/s1
C32H52O3484.75352200
62557626

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C32H52O3/c1-20(2)22-11-16-32(19-33)18-17-30(7)23(27(22)32)9-10-25-29(6)14-13-26(35-21(3)34)28(4,5)24(29)12-15-31(25,30)8/h22-27,33H,1,9-19H2,2-8H3/t22-,23-,24-,25-,26+,27-,29+,30-,31-,32-/m0/s1
C32H52O3484.75352200
62322071

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C32H52O3/c1-20(2)22-11-16-32(19-33)18-17-30(7)23(27(22)32)9-10-25-29(6)14-13-26(35-21(3)34)28(4,5)24(29)12-15-31(25,30)8/h22-27,33H,1,9-19H2,2-8H3/t22-,23+,24+,25-,26+,27+,29+,30-,31-,32-/m1/s1
C32H52O3484.75352200
62462712

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C32H52O3/c1-20(2)22-11-16-32(19-33)18-17-30(7)23(27(22)32)9-10-25-29(6)14-13-26(35-21(3)34)28(4,5)24(29)12-15-31(25,30)8/h22-27,33H,1,9-19H2,2-8H3/t22-,23-,24-,25+,26-,27-,29-,30+,31+,32-/m0/s1
C32H52O3484.75351100
67153351

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C32H52O3/c1-20(2)22-11-16-32(19-33)18-17-30(7)23(27(22)32)9-10-25-29(6)14-13-26(35-21(3)34)28(4,5)24(29)12-15-31(25,30)8/h22-27,33H,1,9-19H2,2-8H3/t22-,23-,24+,25-,26+,27-,29+,30-,31-,32-/m1/s1
C32H52O3484.75351400
110806674

4 of 10 defined stereocentres - 4/10 defined
InChI=1/C32H52O3/c1-20(2)22-11-16-32(19-33)18-17-30(7)23(27(22)32)9-10-25-29(6)14-13-26(35-21(3)34)28(4,5)24(29)12-15-31(25,30)8/h22-27,33H,1,9-19H2,2-8H3/t22?,23?,24?,25?,26-,27?,29-,30+,31+,32?/m0/s1
C32H52O3484.75351100
113652562

7 of 10 defined stereocentres - 7/10 defined
InChI=1/C32H52O3/c1-20(2)22-11-16-32(19-33)18-17-30(7)23(27(22)32)9-10-25-29(6)14-13-26(35-21(3)34)28(4,5)24(29)12-15-31(25,30)8/h22-27,33H,1,9-19H2,2-8H3/t22-,23?,24?,25?,26-,27-,29-,30+,31+,32+/m1/s1
C32H52O3484.75351100
26596736

6 of 10 defined stereocentres - 6/10 defined

Non-standard isotope
InChI=1/C32H52O3/c1-20(2)22-11-16-32(19-33)18-17-30(7)23(27(22)32)9-10-25-29(6)14-13-26(35-21(3)34)28(4,5)24(29)12-15-31(25,30)8/h22-27,33H,1,9-19H2,2-8H3/t22-,23?,24?,25?,26-,27?,29-,30+,31+,32+/m0/s1/i1D2
C32H50D2O3486.76581100
12

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