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
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Found 3 results

Search term: XSOUEGBLZLHHGC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9267785

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C32H36N2O5/c1-3-38-31(36)28(19-18-24-12-6-4-7-13-24)33-23(2)30(35)34-21-27-17-11-10-16-26(27)20-29(34)32(37)39-22-25-14-8-5-9-15-25/h4-17,23,28-29,33H,3,18-22H2,1-2H3/t23-,28-,29-/m0/s1
C32H36N2O5528.638615900
107442296

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C32H36N2O5/c1-3-38-31(36)28(19-18-24-12-6-4-7-13-24)33-23(2)30(35)34-21-27-17-11-10-16-26(27)20-29(34)32(37)39-22-25-14-8-5-9-15-25/h4-17,23,28-29,33H,3,18-22H2,1-2H3/t23-,28+,29-/m0/s1/i4D,6D,7D,12D,13D
C32H31D5N2O5533.66942400
58783933

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C32H36N2O5/c1-3-38-31(36)28(19-18-24-12-6-4-7-13-24)33-23(2)30(35)34-21-27-17-11-10-16-26(27)20-29(34)32(37)39-22-25-14-8-5-9-15-25/h4-17,23,28-29,33H,3,18-22H2,1-2H3/t23-,28-,29-/m0/s1/i4D,6D,7D,12D,13D
C32H31D5N2O5533.66941100

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