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: PTOAARAWEBMLNO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
19105


3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1
C10H12ClN5O3285.68714352989111
1491

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)
C10H12ClN5O3285.6872865200
5145126

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6-/m0/s1
C10H12ClN5O3285.68710900
20021730

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5-,6-/m1/s1
C10H12ClN5O3285.68710600
416920

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m1/s1
C10H12ClN5O3285.6877500
416922

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5-,6-/m0/s1
C10H12ClN5O3285.6875400
20021729

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4?,5-,6-/m1/s1
C10H12ClN5O3285.6875400
58152900

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5?,6?/m1/s1
C10H12ClN5O3285.6872200
62671873

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5-,6+/m1/s1
C10H12ClN5O3285.6872200
62895218

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6-/m1/s1
C10H12ClN5O3285.6872100
65321876

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5-,6+/m0/s1
C10H12ClN5O3285.6872200
77430136

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6?/m0/s1
C10H12ClN5O3285.6871100
107451179

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1/i1+1,2+1,4+1,5+1,6+1
C513C5H12ClN5O3290.65031300
114394183

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5-,6-/m1/s1/i3+2
C914CH12ClN5O3287.67951100
114394476

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1/i3T
C10H11TClN5O3287.69511100
128919515

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5-,6-/m1/s1/i1D2,2D2
C10H8D4ClN5O3289.71161200

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