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: VJZUCXPETVPQIB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5382770

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H25N3O5/c23-21(28)24-12-6-5-11-19(20(26)27)25-22(29)30-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13H2,(H,25,29)(H,26,27)(H3,23,24,28)/t19-/m0/s1
C22H25N3O5411.451563900
5382772

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H25N3O5/c23-21(28)24-12-6-5-11-19(20(26)27)25-22(29)30-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13H2,(H,25,29)(H,26,27)(H3,23,24,28)/t19-/m1/s1
C22H25N3O5411.451543900
57482121

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H25N3O5/c23-21(28)24-12-6-5-11-19(20(26)27)25-22(29)30-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13H2,(H,25,29)(H,26,27)(H3,23,24,28)
C22H25N3O5411.451111900
5382771

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H25N3O5/c23-21(28)24-12-6-5-11-19(20(26)27)25-22(29)30-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13H2,(H,25,29)(H,26,27)(H3,23,24,28)/p-1/t19-/m1/s1
C22H24N3O5410.44361100
5382769

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H25N3O5/c23-21(28)24-12-6-5-11-19(20(26)27)25-22(29)30-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13H2,(H,25,29)(H,26,27)(H3,23,24,28)/p-1/t19-/m0/s1
C22H24N3O5410.44361100

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