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
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Isotopically Labeled
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Found 687 results

Search term: C9H13N3O5 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
6017

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1
C9H13N3O5243.21661622377642620
5940


4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1
C9H13N3O5243.21661543366025859
4982953

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H13N3O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-2,4,6-8,13,15H,3,10H2,(H,11,14,16)/t4-,6-,7-,8-/m1/s1
C9H13N3O5243.2166604400
110768

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H13N3O5/c10-9-11-1-3(8(16)12-9)7-6(15)5(14)4(2-13)17-7/h1,4-7,13-15H,2H2,(H3,10,11,12,16)/t4-,5-,6-,7+/m1/s1
C9H13N3O5243.2166534100
109591

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m0/s1
C9H13N3O5243.2166523700
5380626
InChI=1/C9H13N3O5/c1-3-17-8(13)4-5-11-6-7(12(14)15)9(10-11)16-2/h6H,3-5H2,1-2H3
C9H13N3O5243.2166403200
419076

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H13N3O5/c10-8-5(15)2-12(9(16)11-8)7-1-4(14)6(3-13)17-7/h2,4,6-7,13-15H,1,3H2,(H2,10,11,16)/t4-,6+,7+/m0/s1
C9H13N3O5243.2166343410
141201

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6+,7-,8-/m1/s1
C9H13N3O5243.2166302700
26519206
InChI=1/C9H13N3O5/c1-9(2,3)16-8(15)10-4-5-11-6(7(13)14)17-12-5/h4H2,1-3H3,(H,10,15)(H,13,14)
C9H13N3O5243.2166262000
102689

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8?/m1/s1
C9H13N3O5243.2166256710990
58543

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H13N3O5/c10-9-11-5(14)1-2-12(9)8-7(16)6(15)4(3-13)17-8/h1-2,4,6-8,13,15-16H,3H2,(H2,10,11,14)/t4-,6-,7-,8-/m1/s1
C9H13N3O5243.2166242400
4642603

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8?/m1/s1
C9H13N3O5243.2166242000
99715

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H13N3O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3,10H2,(H,11,15,16)/t5-,6+,7+/m0/s1
C9H13N3O5243.2166221844
87179

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H13N3O5/c1-4-8(15)10-9(16)12(11-4)7-2-5(14)6(3-13)17-7/h5-7,13-14H,2-3H2,1H3,(H,10,15,16)/t5-,6+,7+/m0/s1
C9H13N3O5243.2166202000
38777572
InChI=1/C9H13N3O5/c1-2-17-9-7(12(15)16)6-11(10-9)5-3-4-8(13)14/h6H,2-5H2,1H3,(H,13,14)
C9H13N3O5243.2166191400
38777570

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H13N3O5/c1-3-6(9(13)14)11-5-7(12(15)16)8(10-11)17-4-2/h5-6H,3-4H2,1-2H3,(H,13,14)
C9H13N3O5243.2166181200
21111837

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6?,7?,8-/m1/s1
C9H13N3O5243.21661819360416
38777566

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H13N3O5/c1-4-17-8-7(12(14)15)5-11(10-8)6(2)9(13)16-3/h5-6H,4H2,1-3H3
C9H13N3O5243.2166171200
38777565
InChI=1/C9H13N3O5/c1-3-17-9-7(12(14)15)6-11(10-9)5-4-8(13)16-2/h6H,3-5H2,1-2H3
C9H13N3O5243.2166161100
1482440
InChI=1/C9H13N3O5/c13-3-9(4-14,5-15)10-8(17)6-1-2-7(16)12-11-6/h1-2,13-15H,3-5H2,(H,10,17)(H,12,16)
C9H13N3O5243.2166161200
12345

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