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 14 results

Search term: MVEVPDCVOXJVBD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4470695

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C25H40O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h14-15,17,19-20,26-27H,6-13,16H2,1-5H3/t17-,19-,20-/m1/s1
C25H40O3388.583300000001131100
34981001

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C25H40O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h14-15,17,19-20,26-27H,6-13,16H2,1-5H3/t17-,19-,20-/m1/s1/i10T,17T/t10?,17-,19-,20-
C25H38T2O3392.599511800
21467435

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C25H40O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h14-15,17,19-20,26-27H,6-13,16H2,1-5H3/t17?,19?,20-/m1/s1
C25H40O3388.58337900
23162935

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C25H40O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h14-15,17,19-20,26-27H,6-13,16H2,1-5H3/t17?,19-,20-/m1/s1
C25H40O3388.58334300
8425200

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C25H40O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h14-15,17,19-20,26-27H,6-13,16H2,1-5H3/t17-,19-,20-/m0/s1
C25H40O3388.58334300
2339369

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C25H40O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h14-15,17,19-20,26-27H,6-13,16H2,1-5H3/t17-,19-,20-/m1/s1/i10T,17T/t10-,17+,19+,20+/m0
C25H38T2O3392.5995180000013200
8175942

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C25H40O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h14-15,17,19-20,26-27H,6-13,16H2,1-5H3/t17-,19+,20+/m0/s1
C25H40O3388.58332100
24818295

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C25H40O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h14-15,17,19-20,26-27H,6-13,16H2,1-5H3
C25H40O3388.58332200
23156156

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C25H40O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h14-15,17,19-20,26-27H,6-13,16H2,1-5H3/t17-,19?,20+/m0/s1
C25H40O3388.58332200
23156343

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C25H40O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h14-15,17,19-20,26-27H,6-13,16H2,1-5H3/t17-,19?,20-/m1/s1
C25H40O3388.58332200
48060640

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C25H40O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h14-15,17,19-20,26-27H,6-13,16H2,1-5H3/t17-,19-,20-/m1/s1/i2D3,3D3
C25H34D6O3394.62032200
111311822

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C25H40O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h14-15,17,19-20,26-27H,6-13,16H2,1-5H3/t17?,19?,20-/m0/s1
C25H40O3388.58331100
129180342

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C25H40O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h14-15,17,19-20,26-27H,6-13,16H2,1-5H3/t17-,19?,20-/m0/s1
C25H40O3388.58331100
129180343

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C25H40O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h14-15,17,19-20,26-27H,6-13,16H2,1-5H3/t17-,19?,20+/m1/s1
C25H40O3388.58331100

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