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 10 results

Search term: XKKCQTLDIPIRQD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
58628

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C10H14N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h4,7-8,13H,2-3,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1
C10H14N2O4226.229290403105653
5090

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C10H14N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h4,7-8,13H,2-3,5H2,1H3,(H,11,14,15)
C10H14N2O4226.2292488700
397595

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C10H14N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h4,7-8,13H,2-3,5H2,1H3,(H,11,14,15)/t7-,8+/m1/s1
C10H14N2O4226.2292151200
21507028

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C10H14N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h4,7-8,13H,2-3,5H2,1H3,(H,11,14,15)/t7?,8-/m1/s1
C10H14N2O4226.22927200
399405

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C10H14N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h4,7-8,13H,2-3,5H2,1H3,(H,11,14,15)/t7-,8-/m1/s1
C10H14N2O4226.22925300
23227850

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C10H14N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h4,7-8,13H,2-3,5H2,1H3,(H,11,14,15)/t7-,8?/m0/s1
C10H14N2O4226.22923100
57268113

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C10H14N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h4,7-8,13H,2-3,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1/i9+2
C914CH14N2O4228.22172100
8418427

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C10H14N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h4,7-8,13H,2-3,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1/i2T,3T/t2-,3+,7-,8+
C10H12T2N2O4230.24542100
82962791

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C10H14N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h4,7-8,13H,2-3,5H2,1H3,(H,11,14,15)/t7?,8-/m0/s1
C10H14N2O4226.22921100
114394439

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C10H14N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h4,7-8,13H,2-3,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1/i1T3
C10H11T3N2O4232.25351100

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