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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 29 results

Search term: ODZBBRURCPAEIQ (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
394011

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/b2-1+/t7-,8+,9+/m0/s1
C11H13BrN2O5333.13539412321
4510148

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/b2-1+
C11H13BrN2O5333.13531324200
4980125

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/b2-1+/t7-,8+,9+/m1/s1
C11H13BrN2O5333.135312800
23318152

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/b2-1+/t7-,8+,9-/m0/s1
C11H13BrN2O5333.13537700
34893877

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/t7-,8+,9+/m0/s1
C11H13BrN2O5333.13537700
3071

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)
C11H13BrN2O5333.13536300
23144932

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/b2-1+/t7?,8-,9-/m1/s1
C11H13BrN2O5333.13535321
23233058

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/b2-1+/t7-,8+,9?/m0/s1
C11H13BrN2O5333.13535200
4982103

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/b2-1-/t7-,8+,9+/m0/s1
C11H13BrN2O5333.13535400
17346412

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/b2-1-/t7-,8?,9+/m0/s1
C11H13BrN2O5333.13534200
62406346

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/b2-1+/t7-,8-,9-/m0/s1
C11H13BrN2O5333.13533200
5036062

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/b2-1-/t7-,8-,9+/m0/s1
C11H13BrN2O5333.13533300
5296622

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/t7-,8-,9+/m0/s1
C11H13BrN2O5333.135323200
4980413

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/b2-1+/t7-,8+,9-/m1/s1
C11H13BrN2O5333.13533200
5415709

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/t7-,8-,9-/m0/s1
C11H13BrN2O5333.13532100
62406347

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/b2-1+/t7-,8-,9+/m0/s1
C11H13BrN2O5333.13532200
62406345

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/b2-1+/t7-,8-,9+/m1/s1
C11H13BrN2O5333.13532200
107449682

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined

Non-standard isotope
InChI=1/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/b2-1+/t7-,8+,9?/m0/s1/i4+1,6+1,10+1,11+1,13+1,14+1
C713C4H13Br15N2O5339.09281100
114394217

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/b2-1+/t7-,8-,9-/m1/s1/i11+2
C1014CH13BrN2O5335.12791100
114394354

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/b2-1+/t7-,8-,9-/m1/s1/i5T/t5?,7-,8-,9-
C11H12TBrN2O5335.14341100
12

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