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: PAVGOLAQPWUAGA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
514721

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H35NO4/c1-24(2)18-25(13-15-30-24,20-7-9-21(27-3)10-8-20)12-14-26-17-19-6-11-22(28-4)23(16-19)29-5/h6-11,16,26H,12-15,17-18H2,1-5H3
C25H35NO4413.5497251800
5429298

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C25H35NO4/c1-24(2)18-25(13-15-30-24,20-7-9-21(27-3)10-8-20)12-14-26-17-19-6-11-22(28-4)23(16-19)29-5/h6-11,16,26H,12-15,17-18H2,1-5H3/t25-/m0/s1
C25H35NO4413.54972100
5429300

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C25H35NO4/c1-24(2)18-25(13-15-30-24,20-7-9-21(27-3)10-8-20)12-14-26-17-19-6-11-22(28-4)23(16-19)29-5/h6-11,16,26H,12-15,17-18H2,1-5H3/t25-/m1/s1
C25H35NO4413.54972100
5429299

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C25H35NO4/c1-24(2)18-25(13-15-30-24,20-7-9-21(27-3)10-8-20)12-14-26-17-19-6-11-22(28-4)23(16-19)29-5/h6-11,16,26H,12-15,17-18H2,1-5H3/p+1/t25-/m1/s1
C25H36NO4414.55711100
2584739

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H35NO4/c1-24(2)18-25(13-15-30-24,20-7-9-21(27-3)10-8-20)12-14-26-17-19-6-11-22(28-4)23(16-19)29-5/h6-11,16,26H,12-15,17-18H2,1-5H3/p+1
C25H36NO4414.55711100
5429297

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C25H35NO4/c1-24(2)18-25(13-15-30-24,20-7-9-21(27-3)10-8-20)12-14-26-17-19-6-11-22(28-4)23(16-19)29-5/h6-11,16,26H,12-15,17-18H2,1-5H3/p+1/t25-/m0/s1
C25H36NO4414.55711100

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