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 9 results

Search term: YLWGTLSJKNJWCJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3504919

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C20H28N2O5/c1-12(2)14-9-8-13(3)10-17(14)27-11-18(23)21-22-19(24)15-6-4-5-7-16(15)20(25)26/h8-10,12,15-16H,4-7,11H2,1-3H3,(H,21,23)(H,22,24)(H,25,26)
C20H28N2O5376.44672231700
872634

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H28N2O5/c1-12(2)14-9-8-13(3)10-17(14)27-11-18(23)21-22-19(24)15-6-4-5-7-16(15)20(25)26/h8-10,12,15-16H,4-7,11H2,1-3H3,(H,21,23)(H,22,24)(H,25,26)/t15-,16+/m0/s1
C20H28N2O5376.446714900
872639

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H28N2O5/c1-12(2)14-9-8-13(3)10-17(14)27-11-18(23)21-22-19(24)15-6-4-5-7-16(15)20(25)26/h8-10,12,15-16H,4-7,11H2,1-3H3,(H,21,23)(H,22,24)(H,25,26)/t15-,16+/m1/s1
C20H28N2O5376.44679400
872636

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H28N2O5/c1-12(2)14-9-8-13(3)10-17(14)27-11-18(23)21-22-19(24)15-6-4-5-7-16(15)20(25)26/h8-10,12,15-16H,4-7,11H2,1-3H3,(H,21,23)(H,22,24)(H,25,26)/t15-,16-/m1/s1
C20H28N2O5376.44672100
872638

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H28N2O5/c1-12(2)14-9-8-13(3)10-17(14)27-11-18(23)21-22-19(24)15-6-4-5-7-16(15)20(25)26/h8-10,12,15-16H,4-7,11H2,1-3H3,(H,21,23)(H,22,24)(H,25,26)/t15-,16-/m0/s1
C20H28N2O5376.44672100
5424721

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H28N2O5/c1-12(2)14-9-8-13(3)10-17(14)27-11-18(23)21-22-19(24)15-6-4-5-7-16(15)20(25)26/h8-10,12,15-16H,4-7,11H2,1-3H3,(H,21,23)(H,22,24)(H,25,26)/p-1/t15-,16-/m0/s1
C20H27N2O5375.43931100
5424722

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H28N2O5/c1-12(2)14-9-8-13(3)10-17(14)27-11-18(23)21-22-19(24)15-6-4-5-7-16(15)20(25)26/h8-10,12,15-16H,4-7,11H2,1-3H3,(H,21,23)(H,22,24)(H,25,26)/p-1/t15-,16+/m1/s1
C20H27N2O5375.43931100
5424723

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H28N2O5/c1-12(2)14-9-8-13(3)10-17(14)27-11-18(23)21-22-19(24)15-6-4-5-7-16(15)20(25)26/h8-10,12,15-16H,4-7,11H2,1-3H3,(H,21,23)(H,22,24)(H,25,26)/p-1/t15-,16+/m0/s1
C20H27N2O5375.43931100
5424724

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H28N2O5/c1-12(2)14-9-8-13(3)10-17(14)27-11-18(23)21-22-19(24)15-6-4-5-7-16(15)20(25)26/h8-10,12,15-16H,4-7,11H2,1-3H3,(H,21,23)(H,22,24)(H,25,26)/p-1/t15-,16-/m1/s1
C20H27N2O5375.43931100

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