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 7 results

Search term: IIRJJZHHNGABMQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9250603

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H15NO4/c1-8(14)11(15)13-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,15)(H,16,17)/t8-,10-/m0/s1
C12H15NO4237.2518202200
57269030

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C12H15NO4/c1-8(14)11(15)13-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,15)(H,16,17)
C12H15NO4237.25186600
67162700

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C12H15NO4/c1-8(14)11(15)13-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,15)(H,16,17)/t8?,10-/m0/s1
C12H15NO4237.25181100
128919045

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C12H15NO4/c1-8(14)11(15)13-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,15)(H,16,17)/t8-,10-/m0/s1/i1D3
C12H12D3NO4240.27031200
128919265

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C12H15NO4/c1-8(14)11(15)13-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,15)(H,16,17)/t8?,10-/m0/s1/i1+1,8+1,11+1
C913C3H15NO4240.22981200
128920089

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H15NO4/c1-8(14)11(15)13-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,15)(H,16,17)/p-1/t8-,10-/m0/s1
C12H14NO4236.24441100
129307646

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C12H15NO4/c1-8(14)11(15)13-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,15)(H,16,17)/t8-,10-/m0/s1/i2D,3D,4D,5D,6D
C12H10D5NO4242.28261100

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