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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 25 results

Search term: NMUSYJAQQFHJEW (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9072

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1
C8H12N4O5244.20471616437237025
43448

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5+,6-/m1/s1
C8H12N4O5244.20473441100
1739

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)
C8H12N4O5244.204731152300
23935311

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4+,5?,6-/m1/s1
C8H12N4O5244.2047121600
405258

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m0/s1
C8H12N4O5244.204791000
21112250

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4?,5?,6-/m1/s1
C8H12N4O5244.204789211216
1062948

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4+,5+,6+/m0/s1
C8H12N4O5244.20477700
405240

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4+,5-,6-/m0/s1
C8H12N4O5244.20476600
24673654

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6?/m1/s1
C8H12N4O5244.20475500
82827586

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6+/m1/s1
C8H12N4O5244.20475600
4925630

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4+,5+,6?/m1/s1
C8H12N4O5244.20474600
21234537

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5+,6-/m0/s1
C8H12N4O5244.20473300
24589293

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5?,6-/m1/s1
C8H12N4O5244.20473300
107442430

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1/i2+1,6+1,7+1,8+1
C413C4H12N4O5248.17532200
77498896

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1/i9+1,10+1,11+1,12+1
C8H1215N4O5248.17832200
107449460

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6+/m0/s1
C8H12N4O5244.20471100
117035383

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4+,5?,6-/m0/s1
C8H12N4O5244.20471100
65793227

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5+,6?/m1/s1
C8H12N4O5244.20471300
21240309

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5+,6+/m1/s1
C8H12N4O5244.20471100
21117731

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4?,5?,6-/m0/s1
C8H12N4O5244.20471100
12

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