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 5 results

Search term: XUPWMFVPLKVQOJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2400705

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H31NO2/c1-18(2)22(16-17-23)15-9-8-14-21(24,20-12-6-7-13-20)19-10-4-3-5-11-19/h3-5,10-11,18,20,23-24H,6-7,12-17H2,1-2H3
C21H31NO2329.47634251600
1291242

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H31NO2/c1-18(2)22(16-17-23)15-9-8-14-21(24,20-12-6-7-13-20)19-10-4-3-5-11-19/h3-5,10-11,18,20,23-24H,6-7,12-17H2,1-2H3/t21-/m1/s1
C21H31NO2329.47632100
1291244

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H31NO2/c1-18(2)22(16-17-23)15-9-8-14-21(24,20-12-6-7-13-20)19-10-4-3-5-11-19/h3-5,10-11,18,20,23-24H,6-7,12-17H2,1-2H3/t21-/m0/s1
C21H31NO2329.47632100
1291241

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H31NO2/c1-18(2)22(16-17-23)15-9-8-14-21(24,20-12-6-7-13-20)19-10-4-3-5-11-19/h3-5,10-11,18,20,23-24H,6-7,12-17H2,1-2H3/p+1/t21-/m1/s1
C21H32NO2330.48371100
1291243

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H31NO2/c1-18(2)22(16-17-23)15-9-8-14-21(24,20-12-6-7-13-20)19-10-4-3-5-11-19/h3-5,10-11,18,20,23-24H,6-7,12-17H2,1-2H3/p+1/t21-/m0/s1
C21H32NO2330.48371100

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