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 10 results

Search term: XWPZUHJBOLQNMN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
77764

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3
C17H22ClN3O319.82916711900
31145785

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3/t14-,17+/m1/s1
C17H22ClN3O319.829191100
9144447

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3/t14-,17-/m1/s1
C17H22ClN3O319.82917900
9209712

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3/t14-,17+/m0/s1
C17H22ClN3O319.82916600
58783983

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3/i1D3,2D3
C17H16D6ClN3O325.86615700
31109071

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3/t14-,17-/m0/s1
C17H22ClN3O319.82913400
58784021

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3/t14-,17-/m1/s1/i1D3,2D3
C17H16D6ClN3O325.86612400
71047680

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3/i11+2,12+2
C1514C2H22ClN3O323.81421100
71047949

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3/i17+2
C1614CH22ClN3O321.82161100
95577699

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3/i22D
C17H21DClN3O320.83521100

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