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: XAUDJQYHKZQPEU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
397844

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1
C8H12N4O4228.205313825500
16001

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)
C8H12N4O4228.205323104300
599846

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6-/m0/s1
C8H12N4O4228.205323174672
21475139

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5-,6-/m1/s1
C8H12N4O4228.205313700
409067

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m1/s1
C8H12N4O4228.20538400
67178443

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4?,5-,6+/m1/s1
C8H12N4O4228.20537800
68003976

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1/i9+1,10+1,11+1,12+1
C8H1215N4O4232.178971000
405241

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5-,6-/m0/s1
C8H12N4O4228.20535400
28503107

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6?/m0/s1
C8H12N4O4228.20534400
21258764

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4?,5-,6-/m1/s1
C8H12N4O4228.20534400
81364880

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4?,5-,6+/m0/s1
C8H12N4O4228.20534300
75251041

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5?,6?/m0/s1
C8H12N4O4228.20532200
34978171

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6-/m1/s1
C8H12N4O4228.20532200
58781769

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5-,6-/m1/s1/i9+1,10+1,11+1,12+1
C8H1215N4O4232.17891100
110605794

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6?/m1/s1
C8H12N4O4228.20531100
111313061

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m1/s1/i9+1,10+1,11+1,12+1
C8H1215N4O4232.17891100
114392851

2 of 3 defined stereocentres - 2/3 defined

Non-standard isotope
InChI=1/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5-,6?/m1/s1/i9+1,10+1,11+1,12+1
C8H1215N4O4232.17891100
114394331

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5-,6-/m1/s1/i3T
C8H11TN4O4230.21341100

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