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 3 results

Search term: QSPXCGPXELDRBK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
11969462

Double-bond stereo
InChI=1/C21H23N5O2/c1-3-10-25-17(22)15(20(27)23-14-8-4-5-9-14)12-16-19(25)24-18-13(2)7-6-11-26(18)21(16)28/h3,6-7,11-12,14,22H,1,4-5,8-10H2,2H3,(H,23,27)
C21H23N5O2377.4396251800
918745

Double-bond stereo
InChI=1/C21H23N5O2/c1-3-10-25-17(22)15(20(27)23-14-8-4-5-9-14)12-16-19(25)24-18-13(2)7-6-11-26(18)21(16)28/h3,6-7,11-12,14,22H,1,4-5,8-10H2,2H3,(H,23,27)/b22-17+
C21H23N5O2377.43966400
3939801

Charge
InChI=1/C21H23N5O2/c1-3-10-25-17(22)15(20(27)23-14-8-4-5-9-14)12-16-19(25)24-18-13(2)7-6-11-26(18)21(16)28/h3,6-7,11-12,14,22H,1,4-5,8-10H2,2H3,(H,23,27)/p+1
C21H24N5O2378.4473100

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