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 10 results

Search term: YWEZXUNAYVCODW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
81197

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H30O2/c1-5-6-7-8-16-12-17(22)13-20(23)21(16)19-11-15(4)9-10-18(19)14(2)3/h11-13,18-19,22-23H,2,5-10H2,1,3-4H3/t18-,19+/m0/s1
C21H30O2314.4617383500
8015570

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H30O2/c1-5-6-7-8-16-12-17(22)13-20(23)21(16)19-11-15(4)9-10-18(19)14(2)3/h11-13,18-19,22-23H,2,5-10H2,1,3-4H3
C21H30O2314.4617181701
2321442

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H30O2/c1-5-6-7-8-16-12-17(22)13-20(23)21(16)19-11-15(4)9-10-18(19)14(2)3/h11-13,18-19,22-23H,2,5-10H2,1,3-4H3/t18-,19-/m0/s1
C21H30O2314.46171614350
23129903

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C21H30O2/c1-5-6-7-8-16-12-17(22)13-20(23)21(16)19-11-15(4)9-10-18(19)14(2)3/h11-13,18-19,22-23H,2,5-10H2,1,3-4H3/t18-,19?/m0/s1
C21H30O2314.4617111000
21467722

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C21H30O2/c1-5-6-7-8-16-12-17(22)13-20(23)21(16)19-11-15(4)9-10-18(19)14(2)3/h11-13,18-19,22-23H,2,5-10H2,1,3-4H3/t18-,19+/m0/s1/i1D3
C21H27D3O2317.480210900
25996841

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H30O2/c1-5-6-7-8-16-12-17(22)13-20(23)21(16)19-11-15(4)9-10-18(19)14(2)3/h11-13,18-19,22-23H,2,5-10H2,1,3-4H3/t18-,19+/m1/s1
C21H30O2314.46175400
58781328

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C21H30O2/c1-5-6-7-8-16-12-17(22)13-20(23)21(16)19-11-15(4)9-10-18(19)14(2)3/h11-13,18-19,22-23H,2,5-10H2,1,3-4H3/t18-,19+/m0/s1/i1D3,5D2,6D2,7D2
C21H21D9O2323.51722200
111133650

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C21H30O2/c1-5-6-7-8-16-12-17(22)13-20(23)21(16)19-11-15(4)9-10-18(19)14(2)3/h11-13,18-19,22-23H,2,5-10H2,1,3-4H3/i1D2
C21H28D2O2316.4741100
128924767

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H30O2/c1-5-6-7-8-16-12-17(22)13-20(23)21(16)19-11-15(4)9-10-18(19)14(2)3/h11-13,18-19,22-23H,2,5-10H2,1,3-4H3/t18-,19-/m1/s1
C21H30O2314.46171100

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