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 6 results

Search term: RIOMYFYSQXVYPC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10837901

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C20H27ClN2O5/c1-12(2)18(22-19(25)15-7-5-6-8-16(15)21)20(26)27-11-17(24)23-9-13(3)28-14(4)10-23/h5-8,12-14,18H,9-11H2,1-4H3,(H,22,25)/t13?,14?,18-/m0/s1
C20H27ClN2O5410.891811900
2910133

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C20H27ClN2O5/c1-12(2)18(22-19(25)15-7-5-6-8-16(15)21)20(26)27-11-17(24)23-9-13(3)28-14(4)10-23/h5-8,12-14,18H,9-11H2,1-4H3,(H,22,25)
C20H27ClN2O5410.891783200
6108236

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H27ClN2O5/c1-12(2)18(22-19(25)15-7-5-6-8-16(15)21)20(26)27-11-17(24)23-9-13(3)28-14(4)10-23/h5-8,12-14,18H,9-11H2,1-4H3,(H,22,25)/t13-,14+,18-/m0/s1
C20H27ClN2O5410.89182100
6108238

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H27ClN2O5/c1-12(2)18(22-19(25)15-7-5-6-8-16(15)21)20(26)27-11-17(24)23-9-13(3)28-14(4)10-23/h5-8,12-14,18H,9-11H2,1-4H3,(H,22,25)/t13-,14-,18-/m0/s1
C20H27ClN2O5410.89182100
6108240

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H27ClN2O5/c1-12(2)18(22-19(25)15-7-5-6-8-16(15)21)20(26)27-11-17(24)23-9-13(3)28-14(4)10-23/h5-8,12-14,18H,9-11H2,1-4H3,(H,22,25)/t13-,14-,18+/m1/s1
C20H27ClN2O5410.89182100
78222829

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C20H27ClN2O5/c1-12(2)18(22-19(25)15-7-5-6-8-16(15)21)20(26)27-11-17(24)23-9-13(3)28-14(4)10-23/h5-8,12-14,18H,9-11H2,1-4H3,(H,22,25)/t13?,14?,18-/m1/s1
C20H27ClN2O5410.89181100

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