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 9 results

Search term: ZWWRREXSUJTKNN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
111910

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H34O2/c1-4-5-6-7-13-21(2,3)17-11-12-19(20(23)15-17)16-9-8-10-18(22)14-16/h11-12,15-16,18,22-23H,4-10,13-14H2,1-3H3/t16-,18+/m1/s1
C21H34O2318.4935282700
10205286

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H34O2/c1-4-5-6-7-13-21(2,3)17-11-12-19(20(23)15-17)16-9-8-10-18(22)14-16/h11-12,15-16,18,22-23H,4-10,13-14H2,1-3H3/t16-,18+/m0/s1
C21H34O2318.4935243500
8171613

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H34O2/c1-4-5-6-7-13-21(2,3)17-11-12-19(20(23)15-17)16-9-8-10-18(22)14-16/h11-12,15-16,18,22-23H,4-10,13-14H2,1-3H3
C21H34O2318.4935164100
23232431

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H34O2/c1-4-5-6-7-13-21(2,3)17-11-12-19(20(23)15-17)16-9-8-10-18(22)14-16/h11-12,15-16,18,22-23H,4-10,13-14H2,1-3H3/t16-,18-/m0/s1
C21H34O2318.4935131500
29342255

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C21H34O2/c1-4-5-6-7-13-21(2,3)17-11-12-19(20(23)15-17)16-9-8-10-18(22)14-16/h11-12,15-16,18,22-23H,4-10,13-14H2,1-3H3/t16-,18+/m0/s1/i1D3,4D2,5D2,6D2,7D2
C21H23D11O2329.56128600
48057562

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C21H34O2/c1-4-5-6-7-13-21(2,3)17-11-12-19(20(23)15-17)16-9-8-10-18(22)14-16/h11-12,15-16,18,22-23H,4-10,13-14H2,1-3H3/t16-,18+/m0/s1/i10D2,14D2,18D
C21H29D5O2323.52434600
57546468

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C21H34O2/c1-4-5-6-7-13-21(2,3)17-11-12-19(20(23)15-17)16-9-8-10-18(22)14-16/h11-12,15-16,18,22-23H,4-10,13-14H2,1-3H3/t16-,18?/m0/s1/i10D2,14D2,18D
C21H29D5O2323.52433200
78076038

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C21H34O2/c1-4-5-6-7-13-21(2,3)17-11-12-19(20(23)15-17)16-9-8-10-18(22)14-16/h11-12,15-16,18,22-23H,4-10,13-14H2,1-3H3/t16-,18+/m1/s1/i10D2,14D2,18D
C21H29D5O2323.52431100
111310716

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C21H34O2/c1-4-5-6-7-13-21(2,3)17-11-12-19(20(23)15-17)16-9-8-10-18(22)14-16/h11-12,15-16,18,22-23H,4-10,13-14H2,1-3H3/t16-,18?/m1/s1/i10D2,14D2,18D
C21H29D5O2323.52431100

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