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 14 results

Search term: WVLOADHCBXTIJK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4447624

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,16,19H,3,5-8H2,1H3/t10-,11+,16-,17-/m0/s1
C17H19NO3285.337750667986
3522

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,16,19H,3,5-8H2,1H3
C17H19NO3285.33771746200
17345105

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,16,19H,3,5-8H2,1H3/t10-,11+,16-,17-/m0/s1/i1D3
C17H16D3NO3288.3561101200
4642642

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,16,19H,3,5-8H2,1H3/t10?,11-,16+,17+/m1/s1
C17H19NO3285.33776500
397294

0 of 4 defined stereocentres - 0/4 defined

Non-standard isotope
InChI=1/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,16,19H,3,5-8H2,1H3/i1-1
C1611CH19NO3284.33842200
34485472

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,16,19H,3,5-8H2,1H3/t10-,11+,16-,17-/m1/s1
C17H19NO3285.33771100
49073299

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,16,19H,3,5-8H2,1H3/t10-,11+,16-,17-/m0/s1/i1D3,6D2,7D/t7?,10-,11+,16-,17-
C17H13D6NO3291.37461300
49073304

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,16,19H,3,5-8H2,1H3/t10-,11?,16-,17-/m0/s1/i1D3,6D2,7D/t7?,10-,11?,16-,17-
C17H13D6NO3291.37461100
49073305

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,16,19H,3,5-8H2,1H3/t10-,11+,16-,17-/m0/s1/i1D3,3D/t3?,10-,11+,16-,17-
C17H15D4NO3289.36231200
58793443

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,16,19H,3,5-8H2,1H3/t10?,11-,16+,17+/m1/s1/i1D3
C17H16D3NO3288.35611100
74161029

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,16,19H,3,5-8H2,1H3/t10?,11-,16?,17+/m1/s1
C17H19NO3285.33771100
78362179

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,16,19H,3,5-8H2,1H3/t10?,11-,16+,17+/m0/s1
C17H19NO3285.33771100

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