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 13 results

Search term: OYIFNHCXNCRBQI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
456

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)
C6H11NO4161.155815841340176
83182

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
C6H11NO4161.15581241261521110
145155

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m1/s1
C6H11NO4161.15581007400
5360261

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/p-1/t4-/m0/s1
C6H10NO4160.14845400
10661856

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/p-2
C6H9NO4159.1411424138619
24533326

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/i3D2,4D
C6H8D3NO4164.17434700
48059594

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/i1D2,2D2
C6H7D4NO4165.18053200
49071627

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1/i6+1
C513CH11NO4162.14853300
77494269

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/i1D2,2D2,3D2
C6H5D6NO4167.19283400
396833

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1/i5-1
C511CH11NO4160.15662200
4573936

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/p-2/t4-/m0/s1
C6H9NO4159.14112200
5362087

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/p-1/t4-/m1/s1
C6H10NO4160.14842100

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