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: TVGJSGTUHNIVQU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
167679

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H25BrN6O11P2/c21-8-13(28)12-2-5-26(6-3-12)4-1-7-35-39(31,32)38-40(33,34)36-9-14-16(29)17(30)20(37-14)27-11-25-15-18(22)23-10-24-19(15)27/h2-3,5-6,10-11,14,16-17,20,29-30H,1,4,7-9H2,(H3-,22,23,24,31,32,33,34)/t14-,16-,17-,20-/m1/s1
C20H25BrN6O11P2667.29763200
167680

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H25BrN6O11P2/c21-8-13(28)12-2-5-26(6-3-12)4-1-7-35-39(31,32)38-40(33,34)36-9-14-16(29)17(30)20(37-14)27-11-25-15-18(22)23-10-24-19(15)27/h2-3,5-6,10-11,14,16-17,20,29-30H,1,4,7-9H2,(H3-,22,23,24,31,32,33,34)/p+1/t14-,16-,17-,20-/m1/s1
C20H26BrN6O11P2668.3052200

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