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: PBNLCQXMVFPNMZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
62855205

Double-bond stereo

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-35(3)51(63)56(67,73-41)53(65)57-24-16-15-19-42(57)52(64)71-46(30-43(60)36(4)26-39(7)49(62)50(70-11)48(61)38(6)25-33)37(5)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-38,40-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/b14-12-,17-13-,34-18-,39-26-/t33-,35-,36-,37-,38-,40+,41+,42+,44-,45+,46+,47-,49-,50+,56?/m1/s1
C56H87NO161030.28713300
9632276

Double-bond stereo

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-35(3)51(63)56(67,73-41)53(65)57-24-16-15-19-42(57)52(64)71-46(30-43(60)36(4)26-39(7)49(62)50(70-11)48(61)38(6)25-33)37(5)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-38,40-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/b14-12+,17-13+,34-18+,39-26+/t33-,35-,36-,37-,38-,40+,41+,42+,44-,45+,46+,47-,49-,50+,56?/m1/s1
C56H87NO161030.28712100
9990220

Double-bond stereo

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-35(3)51(63)56(67,73-41)53(65)57-24-16-15-19-42(57)52(64)71-46(30-43(60)36(4)26-39(7)49(62)50(70-11)48(61)38(6)25-33)37(5)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-38,40-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/b14-12+,17-13+,34-18+,39-26+/t33-,35-,36-,37-,38-,40-,41+,42+,44-,45+,46+,47-,49-,50+,56?/m1/s1
C56H87NO161030.28712100

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