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 3 results

Search term: VQISOTOPDCGBAH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
111938

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H35NO3/c1-13(11-23)15-6-7-16-14-5-8-18-21(3,12-25-19(24)22(18)4)17(14)9-10-20(15,16)2/h13-18,23H,5-12H2,1-4H3/t13-,14+,15-,16+,17+,18-,20-,21-/m1/s1
C21H35NO3349.50753300
19981159

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C21H35NO3/c1-13(11-23)15-6-7-16-14-5-8-18-21(3,12-25-19(24)22(18)4)17(14)9-10-20(15,16)2/h13-18,23H,5-12H2,1-4H3/t13?,14-,15+,16-,17-,18?,20+,21+/m0/s1
C21H35NO3349.50753200
23237702

1 of 8 defined stereocentres - 1/8 defined
InChI=1/C21H35NO3/c1-13(11-23)15-6-7-16-14-5-8-18-21(3,12-25-19(24)22(18)4)17(14)9-10-20(15,16)2/h13-18,23H,5-12H2,1-4H3/t13?,14?,15?,16?,17?,18-,20?,21?/m1/s1
C21H35NO3349.50751100

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