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 5 results

Search term: VUYVYFGAKUACOF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
1411474

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H27NO6/c1-5-11(2)18(21(25)26)23-20(24)13(4)28-17-10-9-15-14-7-6-8-16(14)22(27)29-19(15)12(17)3/h9-11,13,18H,5-8H2,1-4H3,(H,23,24)(H,25,26)/t11-,13-,18-/m0/s1
C22H27NO6401.45292100
1411476

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H27NO6/c1-5-11(2)18(21(25)26)23-20(24)13(4)28-17-10-9-15-14-7-6-8-16(14)22(27)29-19(15)12(17)3/h9-11,13,18H,5-8H2,1-4H3,(H,23,24)(H,25,26)/t11-,13+,18-/m0/s1
C22H27NO6401.45292100
3476988

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C22H27NO6/c1-5-11(2)18(21(25)26)23-20(24)13(4)28-17-10-9-15-14-7-6-8-16(14)22(27)29-19(15)12(17)3/h9-11,13,18H,5-8H2,1-4H3,(H,23,24)(H,25,26)
C22H27NO6401.452882100
1411475

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H27NO6/c1-5-11(2)18(21(25)26)23-20(24)13(4)28-17-10-9-15-14-7-6-8-16(14)22(27)29-19(15)12(17)3/h9-11,13,18H,5-8H2,1-4H3,(H,23,24)(H,25,26)/p-1/t11-,13+,18-/m0/s1
C22H26NO6400.44551100
1411473

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H27NO6/c1-5-11(2)18(21(25)26)23-20(24)13(4)28-17-10-9-15-14-7-6-8-16(14)22(27)29-19(15)12(17)3/h9-11,13,18H,5-8H2,1-4H3,(H,23,24)(H,25,26)/p-1/t11-,13-,18-/m0/s1
C22H26NO6400.44551100

Advertisement