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: GRBMWGJGRWVCLB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2361671

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C36H36N2O5/c1-40-26-13-5-22(6-14-26)32-30-33(23-7-15-27(41-2)16-8-23)38-21-37(32)34(24-9-17-28(42-3)18-10-24)31(36(30)39)35(38)25-11-19-29(43-4)20-12-25/h5-20,30-35H,21H2,1-4H3
C36H36N2O5576.681439999998141000
939525

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C36H36N2O5/c1-40-26-13-5-22(6-14-26)32-30-33(23-7-15-27(41-2)16-8-23)38-21-37(32)34(24-9-17-28(42-3)18-10-24)31(36(30)39)35(38)25-11-19-29(43-4)20-12-25/h5-20,30-35H,21H2,1-4H3/t30?,31?,32-,33-,34+,35+
C36H36N2O5576.68142100
10035502

Charge

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C36H36N2O5/c1-40-26-13-5-22(6-14-26)32-30-33(23-7-15-27(41-2)16-8-23)38-21-37(32)34(24-9-17-28(42-3)18-10-24)31(36(30)39)35(38)25-11-19-29(43-4)20-12-25/h5-20,30-35H,21H2,1-4H3/p+2/t30?,31?,32-,33-,34+,35+
C36H38N2O5578.69621100

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