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: LPGUBBCKPSUVTG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
571306

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H28N4O15P2/c1-9-5-23(19(28)21-17(9)26)15-3-11(13(7-25)36-15)39-41(33,34)35-8-14-12(38-40(30,31)32)4-16(37-14)24-6-10(2)18(27)22-20(24)29/h5-6,11-16,25H,3-4,7-8H2,1-2H3,(H,33,34)(H,21,26,28)(H,22,27,29)(H2,30,31,32)/t11-,12-,13+,14+,15+,16+/m0/s1
C20H28N4O15P2626.40165400
144631

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H28N4O15P2/c1-9-5-23(19(28)21-17(9)26)15-3-11(13(7-25)36-15)39-41(33,34)35-8-14-12(38-40(30,31)32)4-16(37-14)24-6-10(2)18(27)22-20(24)29/h5-6,11-16,25H,3-4,7-8H2,1-2H3,(H,33,34)(H,21,26,28)(H,22,27,29)(H2,30,31,32)/t11-,12-,13+,14+,15-,16+/m0/s1
C20H28N4O15P2626.40163300
3361831

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C20H28N4O15P2/c1-9-5-23(19(28)21-17(9)26)15-3-11(13(7-25)36-15)39-41(33,34)35-8-14-12(38-40(30,31)32)4-16(37-14)24-6-10(2)18(27)22-20(24)29/h5-6,11-16,25H,3-4,7-8H2,1-2H3,(H,33,34)(H,21,26,28)(H,22,27,29)(H2,30,31,32)
C20H28N4O15P2626.4016419999992100

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