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
Additional Filters

Found 636 results

Search term: C13H17N5O4 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2005855

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C13H17N5O4/c1-13(2)21-8-6(3-19)20-12(9(8)22-13)18-5-17-7-10(14)15-4-16-11(7)18/h4-6,8-9,12,19H,3H2,1-2H3,(H2,14,15,16)/t6-,8-,9-,12-/m1/s1
C13H17N5O4307.305181018600
129600
InChI=1/C13H17N5O4/c1-15-11-10(12(20)16(2)13(15)21)18(8-14-11)7-9(19)17-3-5-22-6-4-17/h8H,3-7H2,1-2H3
C13H17N5O4307.3052402500
202347

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C13H17N5O4/c1-13(2)21-8-6(3-19)20-12(9(8)22-13)18-5-17-7-10(14)15-4-16-11(7)18/h4-6,8-9,12,19H,3H2,1-2H3,(H2,14,15,16)
C13H17N5O4307.3052262000
2119102
InChI=1/C13H17N5O4/c19-7-4-14-9-8-10(17-5-2-1-3-6-17)11-12(16-22-15-11)13(9)18(20)21/h8,14,19H,1-7H2
C13H17N5O4307.30518241500
3722211
InChI=1/C13H17N5O4/c1-10-13(17-22-16-10)21-9-8-14-6-7-15-11-4-2-3-5-12(11)18(19)20/h2-5,14-15H,6-9H2,1H3
C13H17N5O4307.30518231500
1232679
InChI=1/C13H17N5O4/c1-16-9-8(10(19)17(2)13(16)22)14-12(15-9)18-5-3-7(4-6-18)11(20)21/h7H,3-6H2,1-2H3,(H,14,15)(H,20,21)
C13H17N5O4307.3052231700
4072869
InChI=1/C13H17N5O4/c1-8-7-18-9-10(16(2)13(21)15-11(9)20)14-12(18)17(8)3-5-22-6-4-19/h7,19H,3-6H2,1-2H3,(H,15,20,21)
C13H17N5O4307.30518211300
12266441

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H17N5O4/c1-16-9-8(10(19)17(2)13(16)22)14-12(15-9)18-5-3-4-7(6-18)11(20)21/h7H,3-6H2,1-2H3,(H,14,15)(H,20,21)
C13H17N5O4307.3052201200
1242883
InChI=1/C13H17N5O4/c1-8-7-11(16-22-8)14-12(19)5-4-6-17-10(3)13(18(20)21)9(2)15-17/h7H,4-6H2,1-3H3,(H,14,16,19)
C13H17N5O4307.3052201400
87633

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C13H17N5O4/c1-2-3-14-11-8-12(16-5-15-11)18(6-17-8)13-10(21)9(20)7(4-19)22-13/h2,5-7,9-10,13,19-21H,1,3-4H2,(H,14,15,16)/t7-,9-,10-,13-/m1/s1
C13H17N5O4307.3052191411
4160176
InChI=1/C13H17N5O4/c1-17-9-8(10(19)18(2)13(17)21)15-12(16-9)14-5-6-22-11(20)7-3-4-7/h7H,3-6H2,1-2H3,(H2,14,15,16)
C13H17N5O4307.30518191200
231947

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C13H17N5O4/c1-2-3-14-11-8-12(16-5-15-11)18(6-17-8)13-10(21)9(20)7(4-19)22-13/h2,5-7,9-10,13,19-21H,1,3-4H2,(H,14,15,16)
C13H17N5O4307.3052183000
26035668
InChI=1/C13H17N5O4/c1-4-22-8(19)7-17-5-6-18-9-10(14-12(17)18)15(2)13(21)16(3)11(9)20/h4-7H2,1-3H3
C13H17N5O4307.3052181000
25082786
InChI=1/C13H17N5O4/c1-21-10-6-8(9(14)7-11(10)22-2)13-15-17-18(16-13)5-3-4-12(19)20/h6-7H,3-5,14H2,1-2H3,(H,19,20)
C13H17N5O4307.3052171100
807400
InChI=1/C13H17N5O4/c1-5-18-13(15-16-17-18)14-12(19)8-6-9(20-2)11(22-4)10(7-8)21-3/h6-7H,5H2,1-4H3,(H,14,15,17,19)
C13H17N5O4307.3052161100
4051333

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H17N5O4/c1-7(13(19)14-11-5-8(2)22-16-11)6-17-10(4)12(18(20)21)9(3)15-17/h5,7H,6H2,1-4H3,(H,14,16,19)
C13H17N5O4307.30518161000
3427732
InChI=1/C13H17N5O4/c1-10-13(17-22-16-10)21-9-8-14-6-7-15-11-2-4-12(5-3-11)18(19)20/h2-5,14-15H,6-9H2,1H3
C13H17N5O4307.30518161000
7870660

Double-bond stereo
InChI=1/C13H17N5O4/c1-9(17-18-13(22)12(21)15-6-7-19)8-11(20)16-10-4-2-3-5-14-10/h2-5,19H,6-8H2,1H3,(H,15,21)(H,18,22)(H,14,16,20)/b17-9+
C13H17N5O4307.3052141000
21929739
InChI=1/C13H17N5O4/c1-15-10-9(11(21)16(2)13(15)22)18(7-8(19)20)12(14-10)17-5-3-4-6-17/h3-7H2,1-2H3,(H,19,20)
C13H17N5O4307.305214800
564475

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H17N5O4/c1-9-2-3-11(22-9)13-15-17-18(16-13)7-12(19)14-6-10-8-20-4-5-21-10/h2-3,10H,4-8H2,1H3,(H,14,19)
C13H17N5O4307.3052131100
12345

Advertisement