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 7 results

Search term: YBKRZKSVPNEMQK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5373970

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H21NO5/c1-12(22)18(19(23)24)21(2)20(25)26-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-18,22H,11H2,1-2H3,(H,23,24)/t12-,18+/m1/s1
C20H21NO5355.3844534300
30770490

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C20H21NO5/c1-12(22)18(19(23)24)21(2)20(25)26-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-18,22H,11H2,1-2H3,(H,23,24)
C20H21NO5355.3844151500
44253029

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H21NO5/c1-12(22)18(19(23)24)21(2)20(25)26-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-18,22H,11H2,1-2H3,(H,23,24)/t12-,18+/m0/s1
C20H21NO5355.384414800
58171622

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H21NO5/c1-12(22)18(19(23)24)21(2)20(25)26-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-18,22H,11H2,1-2H3,(H,23,24)/t12-,18-/m1/s1
C20H21NO5355.38444300
59760193

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C20H21NO5/c1-12(22)18(19(23)24)21(2)20(25)26-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-18,22H,11H2,1-2H3,(H,23,24)/t12?,18-/m0/s1
C20H21NO5355.38442200
71354086

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C20H21NO5/c1-12(22)18(19(23)24)21(2)20(25)26-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-18,22H,11H2,1-2H3,(H,23,24)/t12-,18?/m1/s1
C20H21NO5355.38442100
5373969

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H21NO5/c1-12(22)18(19(23)24)21(2)20(25)26-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-18,22H,11H2,1-2H3,(H,23,24)/p-1/t12-,18+/m1/s1
C20H20NO5354.3771100

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