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 23 results

Search term: YQYVFVRQLZMJKJ (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
18063

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3
C18H25NO271.3972403023765
5036071

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18+/m1/s1
C18H25NO271.3972111400
2301549

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18+/m0/s1
C18H25NO271.39729800
23977144

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12?,17-,18+/m0/s1
C18H25NO271.397291000
21171571

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17?,18+/m0/s1
C18H25NO271.39727500
8191617

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18-/m0/s1
C18H25NO271.39726700
24675362

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17-,18-/m1/s1
C18H25NO271.39725500
32815456

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17-,18+/m0/s1
C18H25NO271.39725500
34991580

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17-,18-/m0/s1
C18H25NO271.39724700
10489451

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12?,17?,18-/m1/s1
C18H25NO271.39724400
20088181

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12?,17-,18-/m1/s1
C18H25NO271.39724400
23118500

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17?,18-/m0/s1
C18H25NO271.39722200
8214414

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17?,18+/m1/s1
C18H25NO271.39722100
34991578

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18-/m1/s1
C18H25NO271.39722200
107441836

2 of 3 defined stereocentres - 2/3 defined

Non-standard isotope
InChI=1/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12?,17-,18+/m1/s1/i11D2,13D
C18H22D3NO274.41572200
107441837

2 of 3 defined stereocentres - 2/3 defined

Non-standard isotope
InChI=1/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12?,17-,18-/m0/s1/i11D2,13D
C18H22D3NO274.41571100
34991579

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17-,18+/m1/s1
C18H25NO271.39721100
48058463

0 of 3 defined stereocentres - 0/3 defined

Non-standard isotope
InChI=1/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/i11D2,13D
C18H22D3NO274.41571100
76920270

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18-/m0/s1/i11D2,13D
C18H22D3NO274.41571100
76920271

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18-/m1/s1/i11D2,13D
C18H22D3NO274.41571100
12

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