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 5 results

Search term: AYLCMDOUMNVYJS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3415615

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H16O6/c1-12(2)4-7(13)10(8(14)5-12)6(11(17)18)3-9(15)16/h6,13H,3-5H2,1-2H3,(H,15,16)(H,17,18)
C12H16O6256.2518415900
802455

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H16O6/c1-12(2)4-7(13)10(8(14)5-12)6(11(17)18)3-9(15)16/h6,13H,3-5H2,1-2H3,(H,15,16)(H,17,18)/t6-/m1/s1
C12H16O6256.25182100
802456

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H16O6/c1-12(2)4-7(13)10(8(14)5-12)6(11(17)18)3-9(15)16/h6,13H,3-5H2,1-2H3,(H,15,16)(H,17,18)/t6-/m0/s1
C12H16O6256.25182100
5696041

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H16O6/c1-12(2)4-7(13)10(8(14)5-12)6(11(17)18)3-9(15)16/h6,13H,3-5H2,1-2H3,(H,15,16)(H,17,18)/p-2/t6-/m1/s1
C12H14O6254.23711100
5696043

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H16O6/c1-12(2)4-7(13)10(8(14)5-12)6(11(17)18)3-9(15)16/h6,13H,3-5H2,1-2H3,(H,15,16)(H,17,18)/p-2/t6-/m0/s1
C12H14O6254.23711100

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