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 2 results

Search term: NJCNNKYIBDJTOX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
115332

7 of 8 defined stereocentres - 7/8 defined

Non-standard isotope
InChI=1/C26H31FO9/c1-13(28)35-12-19(31)22(33)26(34)21(36-14(2)29)10-18-17-6-5-15-9-16(30)7-8-23(15,3)25(17,27)20(32)11-24(18,26)4/h7-9,17-18,20-21,32,34H,5-6,10-12H2,1-4H3/t17-,18-,20-,21+,23-,24-,25?,26+/m0/s1/i32D,34D
C26H29D2FO9508.52972200
58819707

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C26H31FO9/c1-13(28)35-12-19(31)22(33)26(34)21(36-14(2)29)10-18-17-6-5-15-9-16(30)7-8-23(15,3)25(17,27)20(32)11-24(18,26)4/h7-9,17-18,20-21,32,34H,5-6,10-12H2,1-4H3/t17-,18-,20-,21+,23-,24-,25?,26+/m0/s1
C26H31FO9506.51731100

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