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 2171 results

Search term: C12H21N3O5 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
29204265
InChI=1/C12H21N3O5/c1-12(2,3)20-11(19)15-6-4-8(5-7-15)9(16)13-14-10(17)18/h8,14H,4-7H2,1-3H3,(H,13,16)(H,17,18)
C12H21N3O5287.3122302400
4575424

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H21N3O5/c1-6(13-9(4)16)10(17)14-7(2)11(18)15-8(3)12(19)20-5/h6-8H,1-5H3,(H,13,16)(H,14,17)(H,15,18)/t6-,7-,8-/m0/s1
C12H21N3O5287.3122272301
1651360
InChI=1/C12H21N3O5/c1-5-19-11(17)8(12(18)20-6-2)9(13)14-15-10(16)7(3)4/h7,14H,5-6,13H2,1-4H3,(H,15,16)
C12H21N3O5287.3122221800
90476

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C12H21N3O5/c1-6(13-9(4)16)10(17)14-7(2)11(18)15-8(3)12(19)20-5/h6-8H,1-5H3,(H,13,16)(H,14,17)(H,15,18)
C12H21N3O5287.3122201400
3419848

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H21N3O5/c1-12(2,3)19-11(18)15-6-4-5-8(15)10(17)20-14-7-9(13)16/h8,14H,4-7H2,1-3H3,(H2,13,16)
C12H21N3O5287.31224161100
38070718
InChI=1/C12H21N3O5/c1-3-20-12(19)15-6-4-9(5-7-15)13-11(18)14(2)8-10(16)17/h9H,3-8H2,1-2H3,(H,13,18)(H,16,17)
C12H21N3O5287.3122111100
35091738

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H21N3O5/c13-11(16)8-20-10-7-19-4-1-9(10)14-12(17)15-2-5-18-6-3-15/h9-10H,1-8H2,(H2,13,16)(H,14,17)/t9-,10-/m1/s1
C12H21N3O5287.31228700
35094427

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H21N3O5/c13-11(16)8-20-10-1-4-19-7-9(10)14-12(17)15-2-5-18-6-3-15/h9-10H,1-8H2,(H2,13,16)(H,14,17)/t9-,10+/m1/s1
C12H21N3O5287.31228700
246879

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C12H21N3O5/c1-13-3-2-7-4-15(6-14-7)12-11(19)10(18)9(17)8(5-16)20-12/h4,6,8-13,16-19H,2-3,5H2,1H3
C12H21N3O5287.31227500
172448
InChI=1/C10H19N3O.C2H2O4/c1-11(2)8-6-7-9-13(5)10(14)12(3)4;3-1(4)2(5)6/h8-9H2,1-5H3;(H,3,4)(H,5,6)
C12H21N3O5287.312246500
65036150
InChI=1/C12H21N3O5/c1-8-13-10(19-14-8)17-7-12(5,6)20-15-9(16)18-11(2,3)4/h7H2,1-6H3,(H,15,16)
C12H21N3O5287.31225500
111086

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H21N3O5/c1-6(2)10(14-9(17)4-13)11(18)15-5-7(16)3-8(15)12(19)20/h6-8,10,16H,3-5,13H2,1-2H3,(H,14,17)(H,19,20)/t7-,8+,10-/m1/s1
C12H21N3O5287.31224400
4925695

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H21N3O5/c1-6(13)11(18)15-5-3-4-8(15)10(17)14-9(7(2)16)12(19)20/h6-9,16H,3-5,13H2,1-2H3,(H,14,17)(H,19,20)/t6-,7+,8-,9-/m0/s1
C12H21N3O5287.31224400
5977820

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H21N3O5/c1-8(12(18)20-3)14-11(17)9-6-13-4-5-15(9)10(16)7-19-2/h8-9,13H,4-7H2,1-3H3,(H,14,17)/t8-,9+/m1/s1
C12H21N3O5287.31224100
25372935
InChI=1/C12H21N3O5/c1-3-19-11(17)13-9-10(16)14-5-7-15(8-6-14)12(18)20-4-2/h3-9H2,1-2H3,(H,13,17)
C12H21N3O5287.31224400
28690266
InChI=1/C12H21N3O5/c16-12(13-11-4-2-1-3-5-11)7-6-10(8-14(17)18)9-15(19)20/h10-11H,1-9H2,(H,13,16)
C12H21N3O5287.31224300
46990300
InChI=1/C12H21N3O5/c1-3-20-12(18)15-6-4-9(5-7-15)14-10(16)8-13-11(17)19-2/h9H,3-8H2,1-2H3,(H,13,17)(H,14,16)
C12H21N3O5287.31224300
53659786

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H21N3O5/c1-7(2)4-9(12(19)20)15-11(18)6-14-10(17)5-13-8(3)16/h7,9H,4-6H2,1-3H3,(H,13,16)(H,14,17)(H,15,18)(H,19,20)
C12H21N3O5287.31224400
53663649

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H21N3O5/c1-4-5-12(3,11(19)20)15-10(18)7-14-9(17)6-13-8(2)16/h4-7H2,1-3H3,(H,13,16)(H,14,17)(H,15,18)(H,19,20)
C12H21N3O5287.31224500
32415245
InChI=1/C12H21N3O5/c1-3-20-12(19)15-6-4-14(5-7-15)11(18)10(17)13(2)8-9-16/h16H,3-9H2,1-2H3
C12H21N3O5287.31224400
12345

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