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
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Found 8 results

Search term: QCWCXSMWLJFBNM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
207079

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O2/c1-13-12-19(2)14(11-18(13)22)5-6-15-16(19)7-9-20(3)17(15)8-10-21(20,4)23/h13-17,23H,5-12H2,1-4H3/t13-,14+,15-,16+,17+,19+,20+,21+/m1/s1
C21H34O2318.4935374100
58782786

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C21H34O2/c1-13-12-19(2)14(11-18(13)22)5-6-15-16(19)7-9-20(3)17(15)8-10-21(20,4)23/h13-17,23H,5-12H2,1-4H3/t13-,14+,15?,16?,17+,19+,20+,21+/m1/s1
C21H34O2318.49353400
58785158

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C21H34O2/c1-13-12-19(2)14(11-18(13)22)5-6-15-16(19)7-9-20(3)17(15)8-10-21(20,4)23/h13-17,23H,5-12H2,1-4H3/t13-,14+,15-,16+,17+,19+,20+,21+/m1/s1/i4D3
C21H31D3O2321.51192200
58817061

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C21H34O2/c1-13-12-19(2)14(11-18(13)22)5-6-15-16(19)7-9-20(3)17(15)8-10-21(20,4)23/h13-17,23H,5-12H2,1-4H3/t13-,14+,15-,16+,17+,19?,20?,21+/m1/s1
C21H34O2318.49351100
107443505

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C21H34O2/c1-13-12-19(2)14(11-18(13)22)5-6-15-16(19)7-9-20(3)17(15)8-10-21(20,4)23/h13-17,23H,5-12H2,1-4H3/t13-,14+,15?,16?,17+,19-,20-,21-/m0/s1
C21H34O2318.49351100
110804983

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O2/c1-13-12-19(2)14(11-18(13)22)5-6-15-16(19)7-9-20(3)17(15)8-10-21(20,4)23/h13-17,23H,5-12H2,1-4H3/t13-,14+,15-,16+,17+,19+,20+,21-/m1/s1
C21H34O2318.49351100
111312305

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C21H34O2/c1-13-12-19(2)14(11-18(13)22)5-6-15-16(19)7-9-20(3)17(15)8-10-21(20,4)23/h13-17,23H,5-12H2,1-4H3/t13-,14+,15?,16?,17+,19-,20-,21-/m1/s1
C21H34O2318.49351100
111312596

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C21H34O2/c1-13-12-19(2)14(11-18(13)22)5-6-15-16(19)7-9-20(3)17(15)8-10-21(20,4)23/h13-17,23H,5-12H2,1-4H3/t13-,14+,15-,16+,17+,19+,20+,21+/m0/s1/i4D3
C21H31D3O2321.51191100

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