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 7 results

Search term: WZTUZRFSDWXDRM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
16736893

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H29ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h10-11,13-16,24-25H,4-9H2,1-3H3/t13-,14+,15-,16-,19+,20-,21-/m0/s1
C21H29ClO3364.9062141500
27805

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C21H29ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h10-11,13-16,24-25H,4-9H2,1-3H3
C21H29ClO3364.90625700
58779824

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C21H29ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h10-11,13-16,24-25H,4-9H2,1-3H3/t13-,14+,15-,16-,19+,20-,21-/m0/s1/i1D3,4D2,10D,13D
C21H22D7ClO3371.94933300
8151651

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H29ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h10-11,13-16,24-25H,4-9H2,1-3H3/t13-,14?,15-,16-,19+,20-,21-/m0/s1
C21H29ClO3364.90622100
111313239

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H29ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h10-11,13-16,24-25H,4-9H2,1-3H3/t13-,14+,15+,16+,19+,20-,21-/m0/s1
C21H29ClO3364.90621100
114392869

5 of 7 defined stereocentres - 5/7 defined

Non-standard isotope
InChI=1/C21H29ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h10-11,13-16,24-25H,4-9H2,1-3H3/t13?,14-,15?,16+,19-,20+,21+/m1/s1/i1D3,10D,11D
C21H24D5ClO3369.9371100

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