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 11 results

Search term: XMJRLEURHMTTRX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4437640

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H14N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h5-6,8,12-13H,1-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1
C9H14N2O5230.21786314500
2841022

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C9H14N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h5-6,8,12-13H,1-4H2,(H,10,14,15)
C9H14N2O5230.217868800
22937953

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H14N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h5-6,8,12-13H,1-4H2,(H,10,14,15)/t5-,6-,8-/m1/s1
C9H14N2O5230.21795500
26330043

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H14N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h5-6,8,12-13H,1-4H2,(H,10,14,15)/t5-,6+,8-/m0/s1
C9H14N2O5230.21794400
26324219

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C9H14N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h5-6,8,12-13H,1-4H2,(H,10,14,15)/t5?,6-,8-/m1/s1
C9H14N2O5230.21793200
4451430

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C9H14N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h5-6,8,12-13H,1-4H2,(H,10,14,15)/t5-,6+,8?/m0/s1
C9H14N2O5230.217862200
16744231

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H14N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h5-6,8,12-13H,1-4H2,(H,10,14,15)/t5-,6-,8+/m1/s1
C9H14N2O5230.21792200
111310407

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H14N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h5-6,8,12-13H,1-4H2,(H,10,14,15)/t5-,6+,8+/m1/s1
C9H14N2O5230.21791100
113606913

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H14N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h5-6,8,12-13H,1-4H2,(H,10,14,15)/t5-,6+,8-/m1/s1
C9H14N2O5230.21791100
128925628

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H14N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h5-6,8,12-13H,1-4H2,(H,10,14,15)/t5-,6-,8+/m0/s1
C9H14N2O5230.21791100
128925708

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H14N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h5-6,8,12-13H,1-4H2,(H,10,14,15)/t5-,6-,8-/m1/s1/i1D,2D/t1?,2?,5-,6-,8-
C9H12D2N2O5232.23021100

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