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 2427 results

Search term: C13H22O3 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
92919

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3
C13H22O3226.3129213200
121870
InChI=1/C13H22O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h11-12H,1-10H2
C13H22O3226.312444102
1376701

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3/t10-,11-/m1/s1
C13H22O3226.312373400
24722930
InChI=1/C13H22O3/c1-2-16-13(15)10-12(14)9-8-11-6-4-3-5-7-11/h11H,2-10H2,1H3
C13H22O3226.312343000
21402195
InChI=1/C13H22O3/c1-2-16-13(15)10-6-9-12(14)11-7-4-3-5-8-11/h11H,2-10H2,1H3
C13H22O3226.312322700
21402205
InChI=1/C13H22O3/c1-2-16-13(15)10-5-3-4-9-12(14)11-7-6-8-11/h11H,2-10H2,1H3
C13H22O3226.312322600
21402211
InChI=1/C13H22O3/c1-2-16-13(15)8-6-4-3-5-7-12(14)11-9-10-11/h11H,2-10H2,1H3
C13H22O3226.312312600
21401722
InChI=1/C13H22O3/c14-12(11-7-5-6-8-11)9-3-1-2-4-10-13(15)16/h11H,1-10H2,(H,15,16)
C13H22O3226.312302600
21401717
InChI=1/C13H22O3/c14-12(11-7-3-1-4-8-11)9-5-2-6-10-13(15)16/h11H,1-10H2,(H,15,16)
C13H22O3226.312292400
142479

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C13H22O3/c1-3-4-5-6-7-10-11(13(15)16-2)8-9-12(10)14/h10-11H,3-9H2,1-2H3
C13H22O3226.312292600
2005865

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H22O3/c1-2-16-13(15)10-5-3-4-7-11-8-6-9-12(11)14/h11H,2-10H2,1H3
C13H22O3226.31198251900
21402199
InChI=1/C13H22O3/c1-2-16-13(15)10-6-5-9-12(14)11-7-3-4-8-11/h11H,2-10H2,1H3
C13H22O3226.312251700
4095187
InChI=1/C13H22O3/c1-4-13(10-8-7-9-11-13)16-12(14-5-2)15-6-3/h1,12H,5-11H2,2-3H3
C13H22O3226.31198241600
10260640

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h7,10,14,16H,5-6,8H2,1-4H3/t10-,13-/m1/s1
C13H22O3226.312241900
8257959

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C13H22O3/c1-3-4-5-6-7-8-12(14)11-9-10(2)16-13(11)15/h9-10,12,14H,3-8H2,1-2H3
C13H22O3226.312201710
27525966
InChI=1/C13H22O3/c14-12(10-13-15-8-9-16-13)7-6-11-4-2-1-3-5-11/h11,13H,1-10H2
C13H22O3226.312201400
11639592

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C13H22O3/c1-5-16-12(15)10-8-9(13(2,3)4)6-7-11(10)14/h9-10H,5-8H2,1-4H3
C13H22O3226.312191400
10260677

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-6,9-10,14,16H,7-8H2,1-4H3/b6-5+/t9-,10-,13-/m1/s1
C13H22O3226.312181402
29334970
InChI=1/C13H22O3/c1-13(2,3)16-12(15)9-11(14)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3
C13H22O3226.312161200
4946565

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-6,9,11,15-16H,7-8H2,1-4H3/b6-5+/t9-,11+,13-/m1/s1
C13H22O3226.312151200
12345

Advertisement