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 6 results

Search term: BPQFIBYRBPNGAJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5025293

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C28H24N2O2S/c31-33(32,30-27-15-6-11-19-8-4-5-12-22(19)27)21-16-17-26-25(18-21)23-13-7-14-24(23)28(29-26)20-9-2-1-3-10-20/h1-13,15-18,23-24,28-30H,14H2/t23-,24+,28+/m0/s1
C28H24N2O2S452.5674131100
12757519

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C28H24N2O2S/c31-33(32,30-27-15-6-11-19-8-4-5-12-22(19)27)21-16-17-26-25(18-21)23-13-7-14-24(23)28(29-26)20-9-2-1-3-10-20/h1-13,15-18,23-24,28-30H,14H2/t23-,24+,28+/m1/s1
C28H24N2O2S452.5674131100
4309861

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C28H24N2O2S/c31-33(32,30-27-15-6-11-19-8-4-5-12-22(19)27)21-16-17-26-25(18-21)23-13-7-14-24(23)28(29-26)20-9-2-1-3-10-20/h1-13,15-18,23-24,28-30H,14H2
C28H24N2O2S452.567365300
31024387

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C28H24N2O2S/c31-33(32,30-27-15-6-11-19-8-4-5-12-22(19)27)21-16-17-26-25(18-21)23-13-7-14-24(23)28(29-26)20-9-2-1-3-10-20/h1-13,15-18,23-24,28-30H,14H2/t23?,24?,28-/m0/s1
C28H24N2O2S452.56742200
62544676

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C28H24N2O2S/c31-33(32,30-27-15-6-11-19-8-4-5-12-22(19)27)21-16-17-26-25(18-21)23-13-7-14-24(23)28(29-26)20-9-2-1-3-10-20/h1-13,15-18,23-24,28-30H,14H2/t23-,24+,28-/m1/s1
C28H24N2O2S452.56742200

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