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 6 results

Search term: AGQVRXPHJKLPRF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17470471

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C20H27N3O6/c1-11(2)17(20(27)28)22-18(25)12(3)21-19(26)13-9-16(24)23(10-13)14-5-7-15(29-4)8-6-14/h5-8,11-13,17H,9-10H2,1-4H3,(H,21,26)(H,22,25)(H,27,28)/t12-,13?,17-/m0/s1
C20H27N3O6405.444911800
5445234

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H27N3O6/c1-11(2)17(20(27)28)22-18(25)12(3)21-19(26)13-9-16(24)23(10-13)14-5-7-15(29-4)8-6-14/h5-8,11-13,17H,9-10H2,1-4H3,(H,21,26)(H,22,25)(H,27,28)/t12-,13-,17-/m0/s1
C20H27N3O6405.44492100
4053240

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C20H27N3O6/c1-11(2)17(20(27)28)22-18(25)12(3)21-19(26)13-9-16(24)23(10-13)14-5-7-15(29-4)8-6-14/h5-8,11-13,17H,9-10H2,1-4H3,(H,21,26)(H,22,25)(H,27,28)
C20H27N3O6405.444882100
5445232

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H27N3O6/c1-11(2)17(20(27)28)22-18(25)12(3)21-19(26)13-9-16(24)23(10-13)14-5-7-15(29-4)8-6-14/h5-8,11-13,17H,9-10H2,1-4H3,(H,21,26)(H,22,25)(H,27,28)/t12-,13+,17-/m0/s1
C20H27N3O6405.44492100
5445233

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H27N3O6/c1-11(2)17(20(27)28)22-18(25)12(3)21-19(26)13-9-16(24)23(10-13)14-5-7-15(29-4)8-6-14/h5-8,11-13,17H,9-10H2,1-4H3,(H,21,26)(H,22,25)(H,27,28)/p-1/t12-,13-,17-/m0/s1
C20H26N3O6404.43751100
5445231

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H27N3O6/c1-11(2)17(20(27)28)22-18(25)12(3)21-19(26)13-9-16(24)23(10-13)14-5-7-15(29-4)8-6-14/h5-8,11-13,17H,9-10H2,1-4H3,(H,21,26)(H,22,25)(H,27,28)/p-1/t12-,13+,17-/m0/s1
C20H26N3O6404.43751100

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