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 4 results

Search term: GVJFZEZYEPDOCK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8208637

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C43H66O11/c1-24(44)50-23-29-34(51-25(2)45)35(52-26(3)46)33(47)36(53-29)54-32-15-16-40(8)30(39(32,6)7)14-17-42(10)31(40)13-12-27-28-22-38(4,5)18-20-43(28,37(48)49-11)21-19-41(27,42)9/h12,28-36,47H,13-23H2,1-11H3/t28-,29+,30-,31+,32-,33+,34+,35+,36-,40-,41+,42+,43-/m0/s1
C43H66O11758.97752100
8254381

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C43H66O11/c1-24(44)50-23-29-34(51-25(2)45)35(52-26(3)46)33(47)36(53-29)54-32-15-16-40(8)30(39(32,6)7)14-17-42(10)31(40)13-12-27-28-22-38(4,5)18-20-43(28,37(48)49-11)21-19-41(27,42)9/h12,28-36,47H,13-23H2,1-11H3/t28-,29+,30-,31+,32-,33+,34-,35+,36-,40-,41+,42+,43-/m0/s1
C43H66O11758.97752100
8525625

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C43H66O11/c1-24(44)50-23-29-34(51-25(2)45)35(52-26(3)46)33(47)36(53-29)54-32-15-16-40(8)30(39(32,6)7)14-17-42(10)31(40)13-12-27-28-22-38(4,5)18-20-43(28,37(48)49-11)21-19-41(27,42)9/h12,28-36,47H,13-23H2,1-11H3/t28-,29+,30-,31+,32-,33+,34-,35+,36+,40-,41+,42+,43-/m0/s1
C43H66O11758.97752100
8548397

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C43H66O11/c1-24(44)50-23-29-34(51-25(2)45)35(52-26(3)46)33(47)36(53-29)54-32-15-16-40(8)30(39(32,6)7)14-17-42(10)31(40)13-12-27-28-22-38(4,5)18-20-43(28,37(48)49-11)21-19-41(27,42)9/h12,28-36,47H,13-23H2,1-11H3/t28-,29+,30-,31+,32-,33+,34+,35+,36+,40-,41+,42+,43-/m0/s1
C43H66O11758.97752100

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