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 29 results

Search term: CQOQDQWUFQDJMK (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
59788

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C19H26O3/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/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1
C19H26O3302.4079973925440
32820547

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C19H26O3/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/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1/i6D2,9D,10D,18D
C19H21D5O3307.438881000
57268581

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C19H26O3/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/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1/i2+1
C1813CH26O3303.40066300
335115

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C19H26O3/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/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12?,13-,15?,18+,19+/m1/s1
C19H26O3302.40796500
28638012

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C19H26O3/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/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1/i2+1D3
C1813CH23D3O3306.41916700
21395883

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C19H26O3/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/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12?,13?,15?,18-,19-/m0/s1
C19H26O3302.40793200
62502489

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C19H26O3/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/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13-,15+,18+,19-/m1/s1
C19H26O3302.40793300
5036240

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C19H26O3/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/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15+,18+,19+/m0/s1
C19H26O3302.40793300
57268841

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C19H26O3/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/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1/i18D
C19H25DO3303.41413200
58842041

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C19H26O3/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/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13-,15-,18+,19+/m1/s1
C19H26O3302.40792200
5037175

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C19H26O3/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/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15+,18-,19+/m0/s1
C19H26O3302.40792200
8076673

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C19H26O3/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/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12?,13?,15?,18-,19+/m1/s1
C19H26O3302.40792100
9241759

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C19H26O3/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/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19+/m0/s1
C19H26O3302.40792100
9923371

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C19H26O3/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/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18+,19+/m0/s1
C19H26O3302.40792100
24532704

1 of 5 defined stereocentres - 1/5 defined

Non-standard isotope
InChI=1/C19H26O3/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/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12?,13?,15?,18-,19?/m0/s1/i6D2,9D,10D,18D
C19H21D5O3307.43872100
114391179

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C19H26O3/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/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18+,19-/m1/s1
C19H26O3302.40791100
114553465

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C19H26O3/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/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m1/s1/i6D2,9D,10D,18D
C19H21D5O3307.43871100
115009186

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C19H26O3/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/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1/i1+1,5+1,6+1,15+1,18+1,19+1
C1313C6H26O3308.36391100
60960211

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C19H26O3/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/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13-,15+,18+,19+/m1/s1
C19H26O3302.40791100
12

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