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: OKKDEIYWILRZIA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
54752

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H11F2N3O4.ClH/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H/t4-,6-,7-;/m1./s1
C9H12ClF2N3O4299.659110810810
316587

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C9H11F2N3O4.ClH/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H
C9H12ClF2N3O4299.65908642318400
24605994

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H11F2N3O4.ClH/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H/t4-,6+,7-;/m1./s1
C9H12ClF2N3O4299.6591161400
23975995

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H11F2N3O4.ClH/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H/t4-,6+,7+;/m1./s1
C9H12ClF2N3O4299.659113700
29272020

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H11F2N3O4.ClH/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H/t4-,6-,7+;/m1./s1
C9H12ClF2N3O4299.6591101500
21112848

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C9H11F2N3O4.ClH/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H/t4-,6-,7?;/m1./s1
C9H12ClF2N3O4299.6591826442
62877113

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H11F2N3O4.ClH/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H/t4-,6-,7+;/m1./s1/i8+1,13+1,14+1;
C813CH12ClF2N15N2O4302.638681000
68003995

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H11F2N3O4.ClH/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H/t4-,6-,7-;/m1./s1/i8+1,13+1,14+1;
C813CH12ClF2N15N2O4302.638681000
58791598

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H11F2N3O4.ClH/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H/t4-,6-,7-;/m0./s1
C9H12ClF2N3O4299.65913200
107442440

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H11F2N3O4.ClH/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H/t4-,6-,7-;/m1./s1/i1+1,2+1,8+1,13+1,14+1;
C613C3H12ClF2N15N2O4304.62392200
58783996

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H11F2N3O4.ClH/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H/t4-,6+,7-;/m1./s1/i8+1,13+1,14+1;
C813CH12ClF2N15N2O4302.63862200
58783264

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H11F2N3O4.ClH/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H/t4-,6+,7-;/m1./s1/i1+1,2+1,8+1,13+1,14+1;
C613C3H12ClF2N15N2O4304.62391100
58783278

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H11F2N3O4.ClH/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H/t4-,6+,7+;/m1./s1/i8+1,13+1,14+1;
C813CH12ClF2N15N2O4302.63861100

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