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 29 results

Search term: HEFNNWSXXWATRW (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3544


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
C13H18O2206.280820959517925402
36498


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1
C13H18O2206.280813124224240
102822

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1
C13H18O2206.28087210900
23936387

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/i3D3
C13H15D3O2209.2993263200
48060866

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/i4+1,5+1,6+1,7+1,11+1,12+1
C713C6H18O2212.236791100
48060957

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1/i3D3
C13H15D3O2209.29937800
48060926

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1/i3D3
C13H15D3O2209.29936700
49073446

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/i3+1D3
C1213CH15D3O2210.2925600
2574234

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/p-1
C13H17O2205.27344400
10132256

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1/i10D
C13H17DO2207.2873400
57267869

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/i3+1
C1213CH18O2207.27352200
5294198

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/p-1/t10-/m0/s1
C13H17O2205.272882200
9599260

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/i4D,5D,6D,7D,10D
C13H13D5O2211.31162200
9811813

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1/i3+2
C1214CH18O2208.27342200
9811944

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/i1T3,2T3,3T3,8T,9T,10T
C13H6T12O2230.37812200
9847664

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1/i8T,9T/t8?,10-
C13H16T2O2210.2972300
10005265

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/i10D
C13H17DO2207.2872200
111259371

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/i1D2,9D
C13H15D3O2209.29931100
113061611

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1/i4+1,5+1,6+1,7+1,11+1,12+1
C713C6H18O2212.23671100
57267246

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1/i13+2
C1214CH18O2208.27341100
12

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