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 6 results

Search term: IFHXPTNRJZKDAL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4655678

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H31N3O/c32-24(22-31-27-14-6-4-12-25(27)26-13-5-7-15-28(26)31)21-30-19-17-29(18-20-30)16-8-11-23-9-2-1-3-10-23/h1-15,24,32H,16-22H2/b11-8+
C28H31N3O425.5652191400
935909

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H31N3O/c32-24(22-31-27-14-6-4-12-25(27)26-13-5-7-15-28(26)31)21-30-19-17-29(18-20-30)16-8-11-23-9-2-1-3-10-23/h1-15,24,32H,16-22H2/b11-8+/t24-/m0/s1
C28H31N3O425.56524300
2113509

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H31N3O/c32-24(22-31-27-14-6-4-12-25(27)26-13-5-7-15-28(26)31)21-30-19-17-29(18-20-30)16-8-11-23-9-2-1-3-10-23/h1-15,24,32H,16-22H2
C28H31N3O425.565244200
4563719

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H31N3O/c32-24(22-31-27-14-6-4-12-25(27)26-13-5-7-15-28(26)31)21-30-19-17-29(18-20-30)16-8-11-23-9-2-1-3-10-23/h1-15,24,32H,16-22H2/b11-8+/t24-/m1/s1
C28H31N3O425.56524300
5337730

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H31N3O/c32-24(22-31-27-14-6-4-12-25(27)26-13-5-7-15-28(26)31)21-30-19-17-29(18-20-30)16-8-11-23-9-2-1-3-10-23/h1-15,24,32H,16-22H2/p+2/b11-8+/t24-/m0/s1
C28H33N3O427.581100
5337731

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H31N3O/c32-24(22-31-27-14-6-4-12-25(27)26-13-5-7-15-28(26)31)21-30-19-17-29(18-20-30)16-8-11-23-9-2-1-3-10-23/h1-15,24,32H,16-22H2/p+2/b11-8+/t24-/m1/s1
C28H33N3O427.581100

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