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 14 results

Search term: CBQJSKKFNMDLON (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
67404

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1
C11H13NO3207.22581502586168
1923

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)
C11H13NO3207.22581331592744
91422

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m1/s1
C11H13NO3207.225811398710
5302850

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/p-1/t10-/m0/s1
C11H12NO3206.217885400
5302851

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/p-1/t10-/m1/s1
C11H12NO3206.217884400
8166273

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1/i7D,10D,11+1/t7-,10+/m1
C1013CH11D2NO3210.23082100
8528485

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1/i7D,10D/t7-,10-
C11H11D2NO3209.23812100
8573629

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/i7D,10D,11+1
C1013CH11D2NO3210.23082100
9292421

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m1/s1/i7D,10D/t7-,10-
C11H11D2NO3209.23812100
9995077

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m1/s1/i7D,8+1,10D/t7-,10-
C1013CH11D2NO3210.23082100
57267038

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m1/s1/i11+2
C1014CH13NO3209.21842100
2820038

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/p-1
C11H12NO3206.217881100
34974353

Charge

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/p-1/t10-/m0/s1/i2D,3D,4D,5D,6D
C11H7D5NO3211.24921100
34974354

Charge

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/p-1/t10-/m0/s1/i1D3,2D,3D,4D,5D,6D
C11H4D8NO3214.26771100

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