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: GWNHITYWNKJRPR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
20211800

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H25N3O2/c1-3-12-22-17-9-5-6-10-18(17)23(20(22)21)13-16(24)14-25-19-11-7-4-8-15(19)2/h4-11,16,21,24H,3,12-14H2,1-2H3
C20H25N3O2339.431410900
2866173

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H25N3O2/c1-3-12-22-17-9-5-6-10-18(17)23(20(22)21)13-16(24)14-25-19-11-7-4-8-15(19)2/h4-11,16,21,24H,3,12-14H2,1-2H3/b21-20+
C20H25N3O2339.43143200
2912324

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H25N3O2/c1-3-12-22-17-9-5-6-10-18(17)23(20(22)21)13-16(24)14-25-19-11-7-4-8-15(19)2/h4-11,16,21,24H,3,12-14H2,1-2H3/p+1
C20H26N3O2340.439342100
5327627

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H25N3O2/c1-3-12-22-17-9-5-6-10-18(17)23(20(22)21)13-16(24)14-25-19-11-7-4-8-15(19)2/h4-11,16,21,24H,3,12-14H2,1-2H3/p+1/t16-/m0/s1
C20H26N3O2340.439342100
5327628

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H25N3O2/c1-3-12-22-17-9-5-6-10-18(17)23(20(22)21)13-16(24)14-25-19-11-7-4-8-15(19)2/h4-11,16,21,24H,3,12-14H2,1-2H3/p+1/t16-/m1/s1
C20H26N3O2340.439342100

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