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: BCEHBSKCWLPMDN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
64684


2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1
C16H14F3N5O349.310514015324774
4400914

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3
C16H14F3N5O349.310469672112000
24582089

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m1/s1
C16H14F3N5O349.3105654800
21234286

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16-/m1/s1
C16H14F3N5O349.3105232000
35099472

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1/i1D3
C16H11D3F3N5O352.329151400
34982997

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16?/m0/s1
C16H14F3N5O349.3105131200
21537405

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16-/m0/s1
C16H14F3N5O349.31055600
44211186

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/i1D3
C16H11D3F3N5O352.3293600
26359937

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10?,16-/m1/s1
C16H14F3N5O349.31053300
67965315

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16?/m1/s1
C16H14F3N5O349.31053300
77496723

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16?/m0/s1/i1D3
C16H11D3F3N5O352.3293300
107443141

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m1/s1/i1D3
C16H11D3F3N5O352.3292500
60497984

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1/i2D,3D,4D
C16H11D3F3N5O352.3292100
107442002

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1/i1+1D3
C1513CH11D3F3N5O353.32161100
76920557

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16-/m1/s1/i1D3
C16H11D3F3N5O352.3291100
76920558

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16-/m1/s1/i1+1D3
C1513CH11D3F3N5O353.32161100

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