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 3 results

Search term: OSQLEUPDNRRMMI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4945419

Double-bond stereo

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C39H56O10/c1-10-22(4)33-26(8)17-31(40)38(49-33)19-29-18-28(48-38)15-14-24(6)32(47-36(41)21(2)3)23(5)12-11-13-27-20-45-35-34(44-9)25(7)16-30(37(42)46-29)39(27,35)43/h10-14,16,21,23,26,28-35,40,43H,15,17-20H2,1-9H3/b12-11+,22-10+,24-14+,27-13+/t23-,26-,28+,29-,30?,31+,32?,33+,34+,35+,38-,39+/m0/s1
C39H56O10684.85592200
57487440

Double-bond stereo

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C39H56O10/c1-10-22(4)33-26(8)17-31(40)38(49-33)19-29-18-28(48-38)15-14-24(6)32(47-36(41)21(2)3)23(5)12-11-13-27-20-45-35-34(44-9)25(7)16-30(37(42)46-29)39(27,35)43/h10-14,16,21,23,26,28-35,40,43H,15,17-20H2,1-9H3/b12-11-,22-10+,24-14-,27-13-/t23-,26-,28+,29-,30?,31+,32?,33+,34+,35+,38-,39+/m0/s1
C39H56O10684.85591100
78436424

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C39H56O10/c1-10-22(4)33-26(8)17-31(40)38(49-33)19-29-18-28(48-38)15-14-24(6)32(47-36(41)21(2)3)23(5)12-11-13-27-20-45-35-34(44-9)25(7)16-30(37(42)46-29)39(27,35)43/h10-14,16,21,23,26,28-35,40,43H,15,17-20H2,1-9H3/b12-11-,22-10+,24-14-,27-13-/t23-,26-,28+,29-,30-,31+,32+,33+,34+,35+,38-,39+/m0/s1
C39H56O10684.85591100

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