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: QSAWQNUELGIYBC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
629297

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6-/m1/s1
C8H12O4172.178512010402
14767

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)
C8H12O4172.178585168783
214819

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6+
C8H12O4172.17858559016
67853

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6-/m0/s1
C8H12O4172.1785836601
32054655

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6?/m1/s1
C8H12O4172.17858500
4337627

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/p-2
C8H10O4170.16264400
57425513

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6?/m0/s1
C8H12O4172.17853200
5301605

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/p-2/t5-,6-/m1/s1
C8H10O4170.16262200
5414421

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/p-2/t5-,6-/m0/s1
C8H10O4170.16371100
5301604

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/p-2/t5-,6+
C8H10O4170.16261100
3009723

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/p+2
C8H14O4174.194361100

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