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 8 results

Search term: DIVLBIVDYADZPL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8619532

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C13H16O4/c1-8(12(14)15)7-10-3-5-11(6-4-10)9(2)13(16)17/h3-6,8-9H,7H2,1-2H3,(H,14,15)(H,16,17)
C13H16O4236.2637476500
48060987

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C13H16O4/c1-8(12(14)15)7-10-3-5-11(6-4-10)9(2)13(16)17/h3-6,8-9H,7H2,1-2H3,(H,14,15)(H,16,17)/i2D3
C13H13D3O4239.28228800
8975377

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C13H16O4/c1-8(12(14)15)7-10-3-5-11(6-4-10)9(2)13(16)17/h3-6,8-9H,7H2,1-2H3,(H,14,15)(H,16,17)/i8T,9T
C13H14T2O4240.282100
34996063

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H16O4/c1-8(12(14)15)7-10-3-5-11(6-4-10)9(2)13(16)17/h3-6,8-9H,7H2,1-2H3,(H,14,15)(H,16,17)/t8-,9+/m1/s1
C13H16O4236.26371100
34996064

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H16O4/c1-8(12(14)15)7-10-3-5-11(6-4-10)9(2)13(16)17/h3-6,8-9H,7H2,1-2H3,(H,14,15)(H,16,17)/t8-,9+/m0/s1
C13H16O4236.26371100
34996065

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H16O4/c1-8(12(14)15)7-10-3-5-11(6-4-10)9(2)13(16)17/h3-6,8-9H,7H2,1-2H3,(H,14,15)(H,16,17)/t8-,9-/m1/s1
C13H16O4236.26371100
34996066

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H16O4/c1-8(12(14)15)7-10-3-5-11(6-4-10)9(2)13(16)17/h3-6,8-9H,7H2,1-2H3,(H,14,15)(H,16,17)/t8-,9-/m0/s1
C13H16O4236.26371100
58170365

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C13H16O4/c1-8(12(14)15)7-10-3-5-11(6-4-10)9(2)13(16)17/h3-6,8-9H,7H2,1-2H3,(H,14,15)(H,16,17)/p-2
C13H14O4234.2491100

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