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: MQHSDQNPAIOBOQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
44205601

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C12H17NO12/c14-5-6(15)10(11(17)18)24-12(7(5)16)23-3-1-21-9-4(25-13(19)20)2-22-8(3)9/h3-10,12,14-16H,1-2H2,(H,17,18)/t3-,4+,5-,6-,7+,8+,9+,10-,12?/m0/s1
C12H17NO12367.26296700
110416100

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C12H17NO12/c14-5-6(15)10(11(17)18)24-12(7(5)16)23-3-1-21-9-4(25-13(19)20)2-22-8(3)9/h3-10,12,14-16H,1-2H2,(H,17,18)/t3-,4+,5+,6+,7-,8+,9+,10+,12-/m1/s1
C12H17NO12367.26293400
56695

4 of 9 defined stereocentres - 4/9 defined
InChI=1/C12H17NO12/c14-5-6(15)10(11(17)18)24-12(7(5)16)23-3-1-21-9-4(25-13(19)20)2-22-8(3)9/h3-10,12,14-16H,1-2H2,(H,17,18)/t3-,4+,5?,6?,7?,8+,9+,10?,12?/m0/s1
C12H17NO12367.26293300
114392605

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C12H17NO12/c14-5-6(15)10(11(17)18)24-12(7(5)16)23-3-1-21-9-4(25-13(19)20)2-22-8(3)9/h3-10,12,14-16H,1-2H2,(H,17,18)/t3-,4+,5+,6+,7-,8-,9-,10+,12-/m1/s1
C12H17NO12367.26292200
113618651

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C12H17NO12/c14-5-6(15)10(11(17)18)24-12(7(5)16)23-3-1-21-9-4(25-13(19)20)2-22-8(3)9/h3-10,12,14-16H,1-2H2,(H,17,18)/t3-,4+,5+,6-,7?,8+,9+,10?,12+/m0/s1
C12H17NO12367.26291100
107442315

9 of 9 defined stereocentres - 9/9 defined

Non-standard isotope
InChI=1/C12H17NO12/c14-5-6(15)10(11(17)18)24-12(7(5)16)23-3-1-21-9-4(25-13(19)20)2-22-8(3)9/h3-10,12,14-16H,1-2H2,(H,17,18)/t3-,4+,5-,6-,7+,8+,9+,10-,12+/m0/s1/i1+1,2+1,3+1,4+1,8+1,9+1
C613C6H17NO12373.21881100
107444019

9 of 9 defined stereocentres - 9/9 defined

Non-standard isotope
InChI=1/C12H17NO12/c14-5-6(15)10(11(17)18)24-12(7(5)16)23-3-1-21-9-4(25-13(19)20)2-22-8(3)9/h3-10,12,14-16H,1-2H2,(H,17,18)/t3-,4+,5+,6+,7-,8-,9-,10+,12-/m1/s1/i1+1,2+1,3+1,4+1,8+1,9+1
C613C6H17NO12373.21881200

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