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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
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Found 21 results

Search term: UBORTCNDUKBEOP (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
58484


4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1
C10H12N4O6284.225586152304120
1152

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)
C10H12N4O6284.22552715700
1265919

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m0/s1
C10H12N4O6284.22555500
17218332

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9+/m1/s1
C10H12N4O6284.22555500
17460071

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5?,6-,9-/m1/s1
C10H12N4O6284.22553100
5415648

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5+,6-,9+/m0/s1
C10H12N4O6284.22553200
5417109

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5+,6-,9-/m1/s1
C10H12N4O6284.22553200
77498842

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1/i1+1,3+1,5+1,6+1,9+1
C513C5H12N4O6289.18883400
57267875

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1/i2+2
C914CH12N4O6286.2182100
1402543

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5+,6-,9-/m0/s1
C10H12N4O6284.22552100
5028010

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5+,6+,9+/m0/s1
C10H12N4O6284.22552100
5415647

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5+,6+,9-/m0/s1
C10H12N4O6284.22552100
24534271

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3?,5?,6?,9-/m1/s1
C10H12N4O6284.22551100
78479800

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5?,6?,9-/m0/s1
C10H12N4O6284.22551100
95602094

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/p-1/t3-,5-,6-,9-/m1/s1
C10H11N4O6283.21811100
98608546

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5+,6?,9-/m1/s1
C10H12N4O6284.22551100
107445574

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5?,6?,9-/m1/s1
C10H12N4O6284.22551100
114394432

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1/i2T
C10H11TN4O6286.23361100
12

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