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: JYBSPTOJWABJNP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3357117

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H18N4O2/c1-14-20(17-9-2-3-10-18(17)23-14)21(24-19-11-4-5-12-22-19)15-7-6-8-16(13-15)25(26)27/h2-13,21,23H,1H3,(H,22,24)
C21H18N4O2358.39322221100
1003386

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H18N4O2/c1-14-20(17-9-2-3-10-18(17)23-14)21(24-19-11-4-5-12-22-19)15-7-6-8-16(13-15)25(26)27/h2-13,21,23H,1H3,(H,22,24)/t21-/m0/s1
C21H18N4O2358.39323200
1003385

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H18N4O2/c1-14-20(17-9-2-3-10-18(17)23-14)21(24-19-11-4-5-12-22-19)15-7-6-8-16(13-15)25(26)27/h2-13,21,23H,1H3,(H,22,24)/t21-/m1/s1
C21H18N4O2358.39322100
3436587

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H18N4O2/c1-14-20(17-9-2-3-10-18(17)23-14)21(24-19-11-4-5-12-22-19)15-7-6-8-16(13-15)25(26)27/h2-13,21,23H,1H3,(H,22,24)/p+1
C21H19N4O2359.401161100
5343909

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H18N4O2/c1-14-20(17-9-2-3-10-18(17)23-14)21(24-19-11-4-5-12-22-19)15-7-6-8-16(13-15)25(26)27/h2-13,21,23H,1H3,(H,22,24)/p+1/t21-/m1/s1
C21H19N4O2359.40061100
5343910

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H18N4O2/c1-14-20(17-9-2-3-10-18(17)23-14)21(24-19-11-4-5-12-22-19)15-7-6-8-16(13-15)25(26)27/h2-13,21,23H,1H3,(H,22,24)/p+1/t21-/m0/s1
C21H19N4O2359.40061100

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