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 16 results

Search term: WHEUWNKSCXYKBU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
389515

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1
C19H24O3300.39216217711
9305

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3
C19H24O3300.392181300
28638013

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1/i2+1D3
C1813CH21D3O3304.40327700
62918557

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1/i6D2,9D,10D
C19H20D4O3304.41676500
57268619

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1/i2+1
C1813CH24O3301.38475200
34998266

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1/i3D,9D,10D/hD/t3?,12-,13+,15-,19-
C19H20D4O3304.41673500
9305488

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19+/m0/s1
C19H24O3300.39212100
24533345

0 of 4 defined stereocentres - 0/4 defined

Non-standard isotope
InChI=1/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/i6D2,9D,10D
C19H20D4O3304.41672400
107563308

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1/i3D/t3?,12-,13+,15-,19-
C19H23DO3301.39822100
114553466

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m1/s1/i6D2,9D,10D
C19H20D4O3304.41671100
115009107

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1/i1+1,5+1,6+1,15+1,18+1,19+1
C1313C6H24O3306.3481100
128925124

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13-,15-,19+/m1/s1
C19H24O3300.39211100
78075910

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1/i2D3
C19H21D3O3303.41051100
78076599

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m1/s1
C19H24O3300.39211100
95636555

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19?/m0/s1
C19H24O3300.39211100

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