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: UCRLHEGXDVZBKA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2158058

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H18N2O5/c24-19(23-17(21(26)27)13-14-7-2-1-3-8-14)15-9-4-5-10-16(15)22-20(25)18-11-6-12-28-18/h1-12,17H,13H2,(H,22,25)(H,23,24)(H,26,27)
C21H18N2O5378.37802221300
1143727

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H18N2O5/c24-19(23-17(21(26)27)13-14-7-2-1-3-8-14)15-9-4-5-10-16(15)22-20(25)18-11-6-12-28-18/h1-12,17H,13H2,(H,22,25)(H,23,24)(H,26,27)/t17-/m0/s1
C21H18N2O5378.3782100
1143728

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H18N2O5/c24-19(23-17(21(26)27)13-14-7-2-1-3-8-14)15-9-4-5-10-16(15)22-20(25)18-11-6-12-28-18/h1-12,17H,13H2,(H,22,25)(H,23,24)(H,26,27)/t17-/m1/s1
C21H18N2O5378.3782100
4367687

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H18N2O5/c24-19(23-17(21(26)27)13-14-7-2-1-3-8-14)15-9-4-5-10-16(15)22-20(25)18-11-6-12-28-18/h1-12,17H,13H2,(H,22,25)(H,23,24)(H,26,27)/p-1
C21H17N2O5377.370081100
5801185

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H18N2O5/c24-19(23-17(21(26)27)13-14-7-2-1-3-8-14)15-9-4-5-10-16(15)22-20(25)18-11-6-12-28-18/h1-12,17H,13H2,(H,22,25)(H,23,24)(H,26,27)/p-1/t17-/m0/s1
C21H17N2O5377.37061100
5801186

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H18N2O5/c24-19(23-17(21(26)27)13-14-7-2-1-3-8-14)15-9-4-5-10-16(15)22-20(25)18-11-6-12-28-18/h1-12,17H,13H2,(H,22,25)(H,23,24)(H,26,27)/p-1/t17-/m1/s1
C21H17N2O5377.37061100

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