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 18 results

Search term: PIQVDUKEQYOJNR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
571113

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H21NO4.ClH/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;/h3-7,12-15H,8-10H2,1-2H3;1H/t12-,13+,14-,15+;/m0./s1
C17H22ClNO4339.813939106583327
451310

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C17H21NO4.ClH/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;/h3-7,12-15H,8-10H2,1-2H3;1H
C17H22ClNO4339.813881824800
5661

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H21NO4.ClH/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;/h3-7,12-15H,8-10H2,1-2H3;1H/t12-,13-,14+,15-;/m1./s1
C17H22ClNO4339.813888500
32699495

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H21NO4.ClH/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;/h3-7,12-15H,8-10H2,1-2H3;1H/t12-,13+,14-,15-;/m0./s1
C17H22ClNO4339.813971000
24807209

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C17H21NO4.ClH/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;/h3-7,12-15H,8-10H2,1-2H3;1H/t12?,13?,14-,15+;/m0./s1
C17H22ClNO4339.81396600
559286

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H21NO4.ClH/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;/h3-7,12-15H,8-10H2,1-2H3;1H/t12-,13+,14-,15+;/m1./s1
C17H22ClNO4339.813885500
30791018

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C17H21NO4.ClH/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;/h3-7,12-15H,8-10H2,1-2H3;1H/t12-,13+,14?,15+;/m0./s1
C17H22ClNO4339.81393200
29786969

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H21NO4.ClH/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;/h3-7,12-15H,8-10H2,1-2H3;1H/t12-,13+,14+,15+;/m0./s1
C17H22ClNO4339.81392300
9253621

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C17H21NO4.ClH/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;/h3-7,12-15H,8-10H2,1-2H3;1H/t12-,13+,14-,15+;/m0./s1/i3D,4D,5D,6D,7D;
C17H17D5ClNO4344.84472400
78429957

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H21NO4.ClH/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;/h3-7,12-15H,8-10H2,1-2H3;1H/t12-,13+,14+,15-;/m1./s1
C17H22ClNO4339.81392300
107442910

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H21NO4.ClH/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;/h3-7,12-15H,8-10H2,1-2H3;1H/t12-,13+,14+,15-;/m0./s1
C17H22ClNO4339.81391700
107444007

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H21NO4.ClH/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;/h3-7,12-15H,8-10H2,1-2H3;1H/t12-,13+,14-,15-;/m1./s1
C17H22ClNO4339.81391200
107444008

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H21NO4.ClH/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;/h3-7,12-15H,8-10H2,1-2H3;1H/t12-,13+,14+,15+;/m1./s1
C17H22ClNO4339.81391300
129260801

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C17H21NO4.ClH/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;/h3-7,12-15H,8-10H2,1-2H3;1H/t12-,13+,14-,15+;/m0./s1/i1D3;
C17H19D3ClNO4342.83241500
48058727

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C17H21NO4.ClH/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;/h3-7,12-15H,8-10H2,1-2H3;1H/t12?,13?,14-,15+;/m1./s1
C17H22ClNO4339.81391200
58781009

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C17H21NO4.ClH/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;/h3-7,12-15H,8-10H2,1-2H3;1H/t12?,13?,14-,15-;/m0./s1
C17H22ClNO4339.81391100
58784735

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C17H21NO4.ClH/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;/h3-7,12-15H,8-10H2,1-2H3;1H/t12?,13?,14-,15-;/m1./s1
C17H22ClNO4339.81391100

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