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 16 results

Search term: RHGKLRLOHDJJDR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9367


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1
C6H13N3O3175.18571603784249146
810

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)
C6H13N3O3175.185712623694249140
553200

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m1/s1
C6H13N3O3175.1857826800
48057857

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1/i1D2,2D2,3D2
C6H7D6N3O3181.222781000
49072971

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1/i1D2,3D2
C6H9D4N3O3179.21046600
58781537

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/i1D2,2D2,3D2,4D
C6H6D7N3O3182.22895700
49072470

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1/i3D2
C6H11D2N3O3177.1983300
49072472

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1/i3+1D2
C513CH11D2N3O3178.19072300
49072449

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1/i1D2,3+1D2
C513CH9D4N3O3180.2032300
107447028

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1/i1+1,2+1,3+1,4+1,6+1
C13C5H13N3O3180.1492200
20171510

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/p-1
C6H12N3O3174.17831100
67155312

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1/i1D2,2D2,4D/hD2
C6H6D7N3O3182.22891100

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