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 293 results

Search term: C13H22O6 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28599708

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H22O6/c1-4-17-11(14)8-7-10(13(16)19-6-3)9-12(15)18-5-2/h10H,4-9H2,1-3H3
C13H22O6274.3102343100
2006898

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C13H22O6/c1-16-10-9(8(15)7-14)17-12-11(10)18-13(19-12)5-3-2-4-6-13/h8-12,14-15H,2-7H2,1H3/t8-,9-,10+,11-,12-/m1/s1
C13H22O6274.31018292400
17344566

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C13H22O6/c1-12(2)16-8-6(14)7(15-5)9-11(10(8)18-12)19-13(3,4)17-9/h6-11,14H,1-5H3/t6-,7-,8+,9+,10+,11+/m0/s1
C13H22O6274.3102272800
306811

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H22O6/c1-5-17-10(14)8-9(4)11(12(15)18-6-2)13(16)19-7-3/h9,11H,5-8H2,1-4H3
C13H22O6274.3102241900
13834602
InChI=1/C13H22O6/c1-5-16-11(14)13(12(15)17-6-2)7-18-10(9(3)4)19-8-13/h9-10H,5-8H2,1-4H3
C13H22O6274.3102222300
5429972

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C13H22O6/c1-12(2)15-6-7(17-12)8-9(14-5)10-11(16-8)19-13(3,4)18-10/h7-11H,6H2,1-5H3/t7-,8-,9+,10-,11-/m1/s1
C13H22O6274.3102191100
17207385

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C13H22O6/c1-12(2)15-6-7-8(17-12)9-10(11(14-5)16-7)19-13(3,4)18-9/h7-11H,6H2,1-5H3/t7-,8-,9+,10+,11+/m1/s1
C13H22O6274.3102171700
68019906
InChI=1/C13H22O6/c1-2-5-16-7-9-18-11-12-19-10-8-17-6-3-4-13(14)15/h1H,3-12H2,(H,14,15)
C13H22O6274.3102171800
31150600

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C13H22O6/c1-8(5-3-4-6-12(16)17)18-13-11(15)7-10(14)9(2)19-13/h4,6,8-11,13-15H,3,5,7H2,1-2H3,(H,16,17)/b6-4+/t8-,9+,10-,11-,13-/m1/s1
C13H22O6274.3102141700
21500152

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C13H22O6/c1-12(2)15-6-7(17-12)8-9(14-5)10-11(16-8)19-13(3,4)18-10/h7-11H,6H2,1-5H3/t7?,8-,9+,10-,11-/m1/s1
C13H22O6274.310214800
2056416

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H22O6/c1-13(2,8-11(15)18-4)9(12(16)19-5)6-7-10(14)17-3/h9H,6-8H2,1-5H3
C13H22O6274.31018131000
178659

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C13H22O6/c1-12(2)15-6-7(17-12)8-9(14-5)10-11(16-8)19-13(3,4)18-10/h7-11H,6H2,1-5H3/t7-,8-,9+,10?,11?/m1/s1
C13H22O6274.310212900
251831
InChI=1/C13H22O6/c1-3-16-11(14)5-7-13(18-9-10-19-13)8-6-12(15)17-4-2/h3-10H2,1-2H3
C13H22O6274.310212900
9498256

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H22O6/c1-6-18-11(15)13(4,12(16)19-7-2)8-9(3)10(14)17-5/h9H,6-8H2,1-5H3
C13H22O6274.3102111100
88556

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C13H22O6/c1-3-4-7-17-13(15)19-10(2)12(14)18-9-11-6-5-8-16-11/h10-11H,3-9H2,1-2H3
C13H22O6274.310210800
2105385

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H22O6/c1-8(2)6-9(7-10(14)17-3)11(12(15)18-4)13(16)19-5/h8-9,11H,6-7H2,1-5H3
C13H22O6274.3101810600
5144470

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H22O6/c1-7(2)16-11(14)9-10(12(15)17-8(3)4)19-13(5,6)18-9/h7-10H,1-6H3/t9-,10-/m1/s1
C13H22O6274.310210900
89445

Double-bond stereo
InChI=1/C13H22O6/c1-5-16-9-10(12(15)17-6-2)11(14)13(18-7-3)19-8-4/h9,13H,5-8H2,1-4H3
C13H22O6274.31028500
213413
InChI=1/C13H22O6/c1-5-9-13(10(14)17-6-2,11(15)18-7-3)12(16)19-8-4/h5-9H2,1-4H3
C13H22O6274.31028500
220002

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H22O6/c1-5-17-11(14)9(4)8-10(12(15)18-6-2)13(16)19-7-3/h9-10H,5-8H2,1-4H3
C13H22O6274.31028600
12345

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