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
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
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Found 558 results

Search term: C12H21N3O6 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
110752
InChI=1/C12H21N3O6/c16-10(17)7-13-1-2-14(8-11(18)19)5-6-15(4-3-13)9-12(20)21/h1-9H2,(H,16,17)(H,18,19)(H,20,21)
C12H21N3O6303.3116476200
8058557

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H21N3O6/c13-7(10(16)17)1-4-14-8(11(18)19)2-5-15-6-3-9(15)12(20)21/h7-9,14H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9-/m0/s1
C12H21N3O6303.3116404611020
5383839

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H21N3O6/c1-7(15-11(20)21-12(2,3)4)10(19)14-5-8(16)13-6-9(17)18/h7H,5-6H2,1-4H3,(H,13,16)(H,14,19)(H,15,20)(H,17,18)/t7-/m0/s1
C12H21N3O6303.3116272200
57389828

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C12H21N3O6/c1-12(2,3)21-11(19)15-5-4-7(14-13)6-8(15)20-10(18)9(16)17/h7-8,14H,4-6,13H2,1-3H3,(H,16,17)
C12H21N3O6303.3116151200
21326388
InChI=1/C8H15N3.C4H6O6/c1-7-6-8(2)11(10-7)5-3-4-9;5-1(3(7)8)2(6)4(9)10/h6H,3-5,9H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)
C12H21N3O6303.3116151000
306765
InChI=1/C12H21N3O6/c1-4-19-10(16)13-7-14(11(17)20-5-2)9-15(8-13)12(18)21-6-3/h4-9H2,1-3H3
C12H21N3O6303.3116141300
34560128

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H21N3O6/c1-6(2)10(11(19)14-5-9(17)18)15-8(16)4-3-7(13)12(20)21/h6-7,10H,3-5,13H2,1-2H3,(H,14,19)(H,15,16)(H,17,18)(H,20,21)/t7-,10-/m0/s1
C12H21N3O6303.3116131500
2692901

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C12H21N3O6/c13-7(10(16)17)1-4-14-8(11(18)19)2-5-15-6-3-9(15)12(20)21/h7-9,14H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)
C12H21N3O6303.3116410600
13076703

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H21N3O6/c13-7(10(16)17)1-4-14-8(11(18)19)2-5-15-6-3-9(15)12(20)21/h7-9,14H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9+/m1/s1
C12H21N3O6303.31168900
13077528

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H21N3O6/c13-7(10(16)17)1-4-14-8(11(18)19)2-5-15-6-3-9(15)12(20)21/h7-9,14H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9+/m0/s1
C12H21N3O6303.31166500
14030640

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H21N3O6/c1-7(15-11(20)21-12(2,3)4)10(19)14-5-8(16)13-6-9(17)18/h7H,5-6H2,1-4H3,(H,13,16)(H,14,19)(H,15,20)(H,17,18)
C12H21N3O6303.31166600
393700

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H21N3O6/c1-7(11(18)19)14-9(16)5-3-2-4-8(12(20)21)15-10(17)6-13/h7-8H,2-6,13H2,1H3,(H,14,16)(H,15,17)(H,18,19)(H,20,21)/t7-,8+/m1/s1
C12H21N3O6303.31166700
4513678

Double-bond stereo
InChI=1/C12H21N3O6/c1-5-19-10(16)9(8(4)13)15(12(18)21-7-3)14-11(17)20-6-2/h5-7,13H2,1-4H3,(H,14,17)/b9-8-
C12H21N3O6303.31165600
13177021

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H21N3O6/c13-7(10(16)17)1-4-14-8(11(18)19)2-5-15-6-3-9(15)12(20)21/h7-9,14H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9-/m1/s1
C12H21N3O6303.31165500
28567251

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H21N3O6/c1-7(10(18)19)15-9(17)6-13-8(16)5-14-11(20)21-12(2,3)4/h7H,5-6H2,1-4H3,(H,13,16)(H,14,20)(H,15,17)(H,18,19)
C12H21N3O6303.31165400
16744177

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H21N3O6/c1-7(11(18)19)14-9(16)5-3-2-4-8(12(20)21)15-10(17)6-13/h7-8H,2-6,13H2,1H3,(H,14,16)(H,15,17)(H,18,19)(H,20,21)/t7-,8-/m1/s1
C12H21N3O6303.31164400
8368631

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H21N3O6/c1-6(2)3-7(13)11(19)14-5-9(16)15-8(12(20)21)4-10(17)18/h6-8H,3-5,13H2,1-2H3,(H,14,19)(H,15,16)(H,17,18)(H,20,21)/t7-,8-/m0/s1
C12H21N3O6303.31164400
9295342

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C12H21N3O6/c1-7(16)4-13-10(19)14(5-8(2)17)12(21)15(11(13)20)6-9(3)18/h7-9,16-18H,4-6H2,1-3H3
C12H21N3O6303.31164300
282822

Double-bond stereo
InChI=1/C12H21N3O6/c1-5-19-10(16)9(8(4)13)15(12(18)21-7-3)14-11(17)20-6-2/h5-7,13H2,1-4H3,(H,14,17)
C12H21N3O6303.31164300
35014796

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C12H21N3O6/c1-7(16)14-6-2-3-9(12(20)21)15-10(17)5-4-8(13)11(18)19/h8-9H,2-6,13H2,1H3,(H,14,16)(H,15,17)(H,18,19)(H,20,21)
C12H21N3O6303.31163300
12345

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