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 47 results

Search term: IXVMHGVQKLDRKH (Found by InChIKey (skeleton match))
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
103072

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,22-,23+,24+,25+,27+,28+/m0/s1
C28H48O6480.6771611610102
391354

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16+,17+,18-,19+,20+,21-,22+,23-,24-,25-,27-,28-/m1/s1
C28H48O6480.6771585600
3126

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3
C28H48O6480.67711916600
26631117

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16+,17+,18-,19+,20+,21-,22+,23-,24+,25+,27-,28-/m1/s1
C28H48O6480.67716500
29789691

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16+,17+,18-,19+,20+,21?,22+,23-,24-,25-,27-,28-/m1/s1
C28H48O6480.67715800
31044872

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,22+,23+,24-,25-,27+,28+/m0/s1
C28H48O6480.67714300
58781185

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16+,17+,18-,19+,20+,21?,22-,23-,24-,25-,27-,28-/m1/s1
C28H48O6480.67714300
68895003

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16+,17+,18-,19+,20+,21-,22+,23-,24-,25-,27-,28-/m0/s1
C28H48O6480.67713100
23498859

9 of 13 defined stereocentres - 9/13 defined
InChI=1/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17?,18+,19?,20?,21?,22-,23+,24+,25+,27+,28+/m0/s1
C28H48O6480.677131243102
26563805

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16+,17-,18-,19+,20-,21+,22+,23-,24+,25-,27+,28-/m1/s1
C28H48O6480.67712100
559225

13 of 13 defined stereocentres - 13/13 defined

Non-standard isotope
InChI=1/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,22-,23+,24+,25+,27+,28+/m0/s1/i1T,14T/t14?,15-,16-,17-,18+,19-,20-,21+,22-,23+,24+,25+,27+,28+
C28H46T2O6484.69332200
4572613

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16+,17+,18?,19+,20+,21-,22+,23-,24+,25-,27-,28-/m1/s1
C28H48O6480.67712200
8045484

11 of 13 defined stereocentres - 11/13 defined
InChI=1/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16+,17+,18-,19?,20?,21-,22+,23-,24-,25-,27-,28-/m1/s1
C28H48O6480.67712100
8181235

13 of 13 defined stereocentres - 13/13 defined

Non-standard isotope
InChI=1/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16+,17+,18-,19+,20+,21-,22+,23-,24-,25-,27-,28-/m1/s1/i13T2,21T
C28H45T3O6486.70142200
8249577

13 of 13 defined stereocentres - 13/13 defined

Non-standard isotope
InChI=1/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16+,17+,18-,19+,20+,21-,22+,23-,24-,25-,27-,28-/m1/s1/i13D2,21D
C28H45D3O6483.69562200
8989905

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21-,22+,23-,24+,25+,27+,28+/m0/s1
C28H48O6480.67712100
9126162

11 of 13 defined stereocentres - 11/13 defined
InChI=1/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16+,17?,18?,19+,20+,21-,22+,23-,24-,25-,27-,28-/m1/s1
C28H48O6480.67712100
9267287

13 of 13 defined stereocentres - 13/13 defined

Non-standard isotope
InChI=1/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,22-,23+,24+,25+,27+,28+/m0/s1/i1D3,2D3,14D
C28H41D7O6487.72032200
9278044

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21?,22-,23+,24+,25+,27+,28+/m0/s1
C28H48O6480.67712100
9504198

13 of 13 defined stereocentres - 13/13 defined

Non-standard isotope
InChI=1/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,22-,23+,24+,25+,27+,28+/m0/s1/i1D3,3D3/t14?,15-,16-,17-,18+,19-,20-,21+,22-,23+,24+,25+,27+,28+
C28H42D6O6486.71412200
123

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