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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
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Found 288 results

Search term: C11H13BrN2O5 (Found by molecular formula)
12345
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
165874

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C11H13BrN2O5/c12-5-10(16)13-9(6-15)11(17)7-1-3-8(4-2-7)14(18)19/h1-4,9,11,15,17H,5-6H2,(H,13,16)/t9-,11-/m1/s1
C11H13BrN2O5333.13538400
2491551
InChI=1/C11H13BrN2O5/c1-18-10(15)13-6-7-19-11(16)14(17)9-4-2-8(12)3-5-9/h2-5,17H,6-7H2,1H3,(H,13,15)
C11H13BrN2O5333.13537500
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
28560313
InChI=1/C11H13BrN2O5/c12-6-2-1-3-7-19-11-5-4-9(13(15)16)8-10(11)14(17)18/h4-5,8H,1-3,6-7H2
C11H13BrN2O5333.13536400
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
58035456

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C11H13BrN2O5/c1-5-7(12)3-6(9(16)14-5)8(15)13-4-11(2,19)10(17)18/h3,19H,4H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)
C11H13BrN2O5333.13536600
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
10440922

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C11H13BrN2O5/c12-5-10(16)13-9(6-15)11(17)7-1-3-8(4-2-7)14(18)19/h1-4,9,11,15,17H,5-6H2,(H,13,16)
C11H13BrN2O5333.13535500
18547515

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C11H13BrN2O5/c1-2-18-10(12)9-6(15)5-8(19-9)14-4-3-7(16)13-11(14)17/h2-4,6,8-10,15H,1,5H2,(H,13,16,17)/t6-,8+,9-,10?/m0/s1
C11H13BrN2O5333.135357200
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
28714812
InChI=1/C11H13BrN2O5/c1-11(2,3)6-5-7(13(15)16)10(19-4)9(8(6)12)14(17)18/h5H,1-4H3
C11H13BrN2O5333.13535300
28714822
InChI=1/C11H13BrN2O5/c1-11(2,3)6-5-7(13(15)16)8(12)9(14(17)18)10(6)19-4/h5H,1-4H3
C11H13BrN2O5333.13535300
53709415

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C11H13BrN2O5/c1-6(11(17)18)13-9(15)5-14(2)10(16)7-3-4-8(12)19-7/h3-4,6H,5H2,1-2H3,(H,13,15)(H,17,18)/t6-/m0/s1
C11H13BrN2O5333.13534500
53715469

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C11H13BrN2O5/c1-6(11(17)18)13-9(15)5-14(2)10(16)7-3-4-8(12)19-7/h3-4,6H,5H2,1-2H3,(H,13,15)(H,17,18)/t6-/m1/s1
C11H13BrN2O5333.13534500
53956761
InChI=1/C11H13BrN2O5/c1-13(6-10(16)17)9(15)5-14(2)11(18)7-3-4-8(12)19-7/h3-4H,5-6H2,1-2H3,(H,16,17)
C11H13BrN2O5333.13534500
12345

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