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 43 results

Search term: C11H13F3N4O4 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
31718
InChI=1/C11H13F3N4O4/c1-3-16(4-2)9-7(17(19)20)5-6(11(12,13)14)8(15)10(9)18(21)22/h5H,3-4,15H2,1-2H3
C11H13F3N4O4322.24055910010
29346005

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C11H13F3N4O4/c1-3-22-9(20)18-10(7(19)21-2,11(12,13)14)17-8-15-5-4-6-16-8/h4-6H,3H2,1-2H3,(H,18,20)(H,15,16,17)
C11H13F3N4O4322.240510800
30468957

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C11H13F3N4O4/c12-11(13,14)10(20)2-4-16(7-10)9(19)1-3-17-6-8(5-15-17)18(21)22/h5-6,20H,1-4,7H2
C11H13F3N4O4322.24056400
57952158

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C11H13F3N4O4/c1-5-8(18(21)22)9(16(2)15-5)17-3-6(10(19)20)7(4-17)11(12,13)14/h6-7H,3-4H2,1-2H3,(H,19,20)/t6-,7-/m1/s1
C11H13F3N4O4322.24054500
57990751

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C11H13F3N4O4/c1-2-7-15-9(22-17-7)16-10(21)18-3-5(8(19)20)6(4-18)11(12,13)14/h5-6H,2-4H2,1H3,(H,19,20)(H,15,16,17,21)/t5-,6-/m1/s1
C11H13F3N4O4322.24054400
57991639
InChI=1/C11H13F3N4O4/c12-11(13,14)6-22-10-16-5-3-7(18-10)17-9(21)15-4-1-2-8(19)20/h3,5H,1-2,4,6H2,(H,19,20)(H2,15,16,17,18,21)
C11H13F3N4O4322.24054500
57991642
InChI=1/C11H13F3N4O4/c1-18(5-3-8(19)20)10(21)17-7-2-4-15-9(16-7)22-6-11(12,13)14/h2,4H,3,5-6H2,1H3,(H,19,20)(H,15,16,17,21)
C11H13F3N4O4322.24054500
63103636
InChI=1/C11H13F3N4O4/c12-11(13,14)5-18-6-17(4-9(18)21)8(20)3-16-2-1-7(19)15-10(16)22/h1-6H2,(H,15,19,22)
C11H13F3N4O4322.24052300
64324732

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C11H13F3N4O4/c12-11(13,14)5-17-2-1-6(9(17)21)15-7(19)3-18-4-8(20)16-10(18)22/h6H,1-5H2,(H,15,19)(H,16,20,22)
C11H13F3N4O4322.24052300
64521529
InChI=1/C11H13F3N4O4/c1-7-15-8(22-16-7)3-21-4-10(20)17-2-9(19)18(6-17)5-11(12,13)14/h2-6H2,1H3
C11H13F3N4O4322.24052200
68123586

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C11H13F3N4O4/c1-7-15-8(18(20)21)6-16(7)3-2-9(19)17-4-5-22-10(17)11(12,13)14/h6,10H,2-5H2,1H3
C11H13F3N4O4322.24052300
70679057

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C11H13F3N4O4/c12-11(13,14)9(19)6-1-3-17(4-2-6)10(20)8-7(18(21)22)5-15-16-8/h5-6,9,19H,1-4H2,(H,15,16)
C11H13F3N4O4322.24052200
8862614

Double-bond stereo
InChI=1/C11H13F3N4O4/c1-3-16(4-2)18(21)15-22-10-6-5-8(11(12,13)14)7-9(10)17(19)20/h5-7H,3-4H2,1-2H3/b18-15-
C11H13F3N4O4322.24052100
8933473

Double-bond stereo
InChI=1/C11H13F3N4O4/c1-3-16(4-2)18(21)15-22-10-6-5-8(17(19)20)7-9(10)11(12,13)14/h5-7H,3-4H2,1-2H3/b18-15-
C11H13F3N4O4322.24052100
23272963

Double-bond stereo
InChI=1/C11H13F3N4O4/c1-3-16(4-2)18(21)15-22-10-6-5-8(17(19)20)7-9(10)11(12,13)14/h5-7H,3-4H2,1-2H3/b18-15+
C11H13F3N4O4322.24052200
28651960
InChI=1/C11H13F3N4O4/c12-11(13,14)7-5-8(17(19)20)10(9(6-7)18(21)22)16-4-2-1-3-15/h5-6,16H,1-4,15H2
C11H13F3N4O4322.24052200
114864573

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C11H13F3N4O4/c1-22-8-4-17(10(21)11(12,13)14)2-6(8)7-3-18(16-15-7)5-9(19)20/h3,6,8H,2,4-5H2,1H3,(H,19,20)/t6-,8+/m0/s1
C11H13F3N4O4322.24052100
122156682

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C11H13F3N4O4/c1-15-10(19)7-8(18(20)21)9(11(12,13)14)17(16-7)6-3-2-4-22-5-6/h6H,2-5H2,1H3,(H,15,19)
C11H13F3N4O4322.24051100
122183423

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C11H13F3N4O4/c1-22-10(19)7-8(18(20)21)9(11(12,13)14)17(16-7)6-4-2-3-5-15-6/h6,15H,2-5H2,1H3
C11H13F3N4O4322.24051100
107724569

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C11H13F3N4O4/c1-6-16-18(10(21)22-6)4-8(19)15-7-2-3-17(9(7)20)5-11(12,13)14/h7H,2-5H2,1H3,(H,15,19)
C11H13F3N4O4322.24051100
123

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