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 20 results

Search term: NLLMJANWPUQQTA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10128322

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3/t14-,16+,17+,18+/m1/s1
C18H22O2270.36613843533
7826162

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3/t14-,16+,17-,18+/m1/s1
C18H22O2270.3661283200
12075

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3
C18H22O2270.3661124700
7971203

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3/t14?,16?,17-,18-/m0/s1
C18H22O2270.36616400
57579059

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3/t14-,16+,17+,18+/m1/s1/i3D,7D2,10D
C18H18D4O2274.39076400
115009521

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3/t14-,16+,17+,18+/m1/s1/i3D,7D2,10D,17D
C18H17D5O2275.39694400
107563232

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3/t14-,16+,17+,18+/m1/s1/i17D
C18H21DO2271.37222100
24533193

1 of 4 defined stereocentres - 1/4 defined

Non-standard isotope
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3/t14?,16?,17-,18?/m0/s1/i3D,7D2,10D,17D
C18H17D5O2275.39692100
8598703

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3/t14?,16?,17?,18-/m0/s1
C18H22O2270.36612100
8598704

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3/t14?,16?,17-,18+/m1/s1
C18H22O2270.36612100
60498412

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3/t14?,16-,17+,18-/m0/s1/i7D2,17D
C18H19D3O2273.38461100
67171428

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3/t14-,16-,17+,18-/m0/s1
C18H22O2270.36611400
78075947

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3/t14-,16+,17+,18+/m0/s1/i7D2,17D
C18H19D3O2273.38461100
78076533

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3/t14-,16+,17-,18+/m0/s1
C18H22O2270.36611100
78076534

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3/t14-,16+,17+,18+/m0/s1
C18H22O2270.36611100

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