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: RILBGEGSZCNKQV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
63002641

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28N2O5S/c1-13(6-7-15-8-9-15)11-17-20(26)22(3,29)19-18(5-4-10-24(17)19)30-12-16(21(27)28)23-14(2)25/h4-7,10-11,15-17,20,26,29H,8-9,12H2,1-3H3,(H-,23,25,27,28)/b7-6+,13-11+/t16-,17-,20-,22-/m0/s1
C22H28N2O5S432.53312200
78443816

Charge

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28N2O5S/c1-13(6-7-15-8-9-15)11-17-20(26)22(3,29)19-18(5-4-10-24(17)19)30-12-16(21(27)28)23-14(2)25/h4-7,10-11,15-17,20,26,29H,8-9,12H2,1-3H3,(H-,23,25,27,28)/p+1/b7-6+,13-11+/t16-,17-,20-,22-/m0/s1
C22H29N2O5S433.54051100

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