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 8 results

Search term: WITCOKQIPFWQQD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5383157

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H17N3O4/c1-4(2)7(11)8(14)12-5(9(15)16)3-6(10)13/h4-5,7H,3,11H2,1-2H3,(H2,10,13)(H,12,14)(H,15,16)/t5-,7-/m0/s1
C9H17N3O4231.249232300
14173015

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C9H17N3O4/c1-4(2)7(11)8(14)12-5(9(15)16)3-6(10)13/h4-5,7H,3,11H2,1-2H3,(H2,10,13)(H,12,14)(H,15,16)
C9H17N3O4231.2496721723
48883745

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C9H17N3O4/c1-4(2)7(11)8(14)12-5(9(15)16)3-6(10)13/h4-5,7H,3,11H2,1-2H3,(H2,10,13)(H,12,14)(H,15,16)/t5?,7-/m1/s1
C9H17N3O4231.2492200
49745230

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C9H17N3O4/c1-4(2)7(11)8(14)12-5(9(15)16)3-6(10)13/h4-5,7H,3,11H2,1-2H3,(H2,10,13)(H,12,14)(H,15,16)/t5-,7?/m0/s1
C9H17N3O4231.2491100
49745259

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H17N3O4/c1-4(2)7(11)8(14)12-5(9(15)16)3-6(10)13/h4-5,7H,3,11H2,1-2H3,(H2,10,13)(H,12,14)(H,15,16)/t5-,7+/m0/s1
C9H17N3O4231.2491100
49745364

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H17N3O4/c1-4(2)7(11)8(14)12-5(9(15)16)3-6(10)13/h4-5,7H,3,11H2,1-2H3,(H2,10,13)(H,12,14)(H,15,16)/t5-,7+/m1/s1
C9H17N3O4231.2491100
49745375

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C9H17N3O4/c1-4(2)7(11)8(14)12-5(9(15)16)3-6(10)13/h4-5,7H,3,11H2,1-2H3,(H2,10,13)(H,12,14)(H,15,16)/t5-,7?/m1/s1
C9H17N3O4231.2491100
49745405

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H17N3O4/c1-4(2)7(11)8(14)12-5(9(15)16)3-6(10)13/h4-5,7H,3,11H2,1-2H3,(H2,10,13)(H,12,14)(H,15,16)/t5-,7-/m1/s1
C9H17N3O4231.2491100

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