Matches any text strings used to describe a molecule.
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 26 results

Search term: GVJHHUAWPYXKBD (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
14265

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
C29H50O2430.70611497191301902140
2032

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3
C29H50O2430.7061591043770
5028011

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29+/m0/s1
C29H50O2430.7061231600
1265923

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29+/m1/s1
C29H50O2430.7061222100
1379386

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m0/s1
C29H50O2430.7061201600
9376493

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1/i5D3,7D3
C29H44D6O2436.7431131500
5811

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22+,29-/m0/s1
C29H50O2430.7061111200
5415677

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22+,29+/m0/s1
C29H50O2430.706110900
10263146

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22+,29-/m1/s1
C29H50O2430.70617800
34987394

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22+,29+/m1/s1
C29H50O2430.70617700
48062242

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21?,22?,29-/m1/s1
C29H50O2430.70617800
58824827

2 of 3 defined stereocentres - 2/3 defined

Non-standard isotope
InChI=1/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29?/m1/s1/i5+1,6+1,7+1
C2613C3H50O2433.68414400
58824828

2 of 3 defined stereocentres - 2/3 defined

Non-standard isotope
InChI=1/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29?/m1/s1/i23+1,24+1,25+1,26+1,27+1,28+1
C2313C6H50O2436.6624400
8052221

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29?/m1/s1
C29H50O2430.70614300
58824829

2 of 3 defined stereocentres - 2/3 defined

Non-standard isotope
InChI=1/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29?/m1/s1/i5+1,6+1,7+1,23+1,24+1,25+1,26+1,27+1,28+1
C2013C9H50O2439.643300
48062241

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21?,22?,29-/m0/s1
C29H50O2430.70613300
9422547

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1/i7D3
C29H47D3O2433.72462200
8916749

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29+/m1/s1/i7+2
C2814CH50O2432.69862200
114725183

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1/i5D2,7D2
C29H46D4O2434.73071100
115010179

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m0/s1/i5+1D3,7+1D3
C2713C2H44D6O2438.72841100
12

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