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 6 results

Search term: XKTXEVJPJZIGGL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
252229

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C12H18O2/c1-11-3-8-2-9(4-11)6-12(5-8,7-11)10(13)14/h8-9H,2-7H2,1H3,(H,13,14)
C12H18O2194.2701382701
26264956

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H18O2/c1-11-3-8-2-9(4-11)6-12(5-8,7-11)10(13)14/h8-9H,2-7H2,1H3,(H,13,14)/t8-,9+,11-,12-
C12H18O2194.27014300
622447

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C12H18O2/c1-11-3-8-2-9(4-11)6-12(5-8,7-11)10(13)14/h8-9H,2-7H2,1H3,(H,13,14)/t8-,9+,11?,12?
C12H18O2194.27012100
2692964

Charge

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C12H18O2/c1-11-3-8-2-9(4-11)6-12(5-8,7-11)10(13)14/h8-9H,2-7H2,1H3,(H,13,14)/p-1
C12H17O2193.262181100
5300474

Charge

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C12H18O2/c1-11-3-8-2-9(4-11)6-12(5-8,7-11)10(13)14/h8-9H,2-7H2,1H3,(H,13,14)/p-1/t8-,9+,11?,12?
C12H17O2193.262181100
110541729

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C12H18O2/c1-11-3-8-2-9(4-11)6-12(5-8,7-11)10(13)14/h8-9H,2-7H2,1H3,(H,13,14)/t8-,9?,11?,12-/m1/s1
C12H18O2194.27011100

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