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 9 results

Search term: MJZMSEWWBGCBFM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4589743

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H14N2O4/c1-4(9-6(3)11)7(12)10-5(2)8(13)14/h4-5H,1-3H3,(H,9,11)(H,10,12)(H,13,14)/t4-,5-/m0/s1
C8H14N2O4202.2078303800
3781225

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C8H14N2O4/c1-4(9-6(3)11)7(12)10-5(2)8(13)14/h4-5H,1-3H3,(H,9,11)(H,10,12)(H,13,14)
C8H14N2O4202.20776191843
10447542

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H14N2O4/c1-4(9-6(3)11)7(12)10-5(2)8(13)14/h4-5H,1-3H3,(H,9,11)(H,10,12)(H,13,14)/t4-,5-/m1/s1
C8H14N2O4202.207811152139
39064366

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H14N2O4/c1-4(9-6(3)11)7(12)10-5(2)8(13)14/h4-5H,1-3H3,(H,9,11)(H,10,12)(H,13,14)/t4?,5-/m1/s1
C8H14N2O4202.20782200
58808549

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H14N2O4/c1-4(9-6(3)11)7(12)10-5(2)8(13)14/h4-5H,1-3H3,(H,9,11)(H,10,12)(H,13,14)/t4-,5+/m1/s1
C8H14N2O4202.20782100
67178392

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C8H14N2O4/c1-4(9-6(3)11)7(12)10-5(2)8(13)14/h4-5H,1-3H3,(H,9,11)(H,10,12)(H,13,14)/t4-,5-/m0/s1/i3D/hD
C8H12D2N2O4204.22011100
76612487

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H14N2O4/c1-4(9-6(3)11)7(12)10-5(2)8(13)14/h4-5H,1-3H3,(H,9,11)(H,10,12)(H,13,14)/t4-,5?/m1/s1
C8H14N2O4202.20781100
115069139

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H14N2O4/c1-4(9-6(3)11)7(12)10-5(2)8(13)14/h4-5H,1-3H3,(H,9,11)(H,10,12)(H,13,14)/t4?,5-/m0/s1
C8H14N2O4202.20781100
5384355

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H14N2O4/c1-4(9-6(3)11)7(12)10-5(2)8(13)14/h4-5H,1-3H3,(H,9,11)(H,10,12)(H,13,14)/p-1/t4-,5-/m0/s1
C8H13N2O4201.20041100

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