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: PBPGJNVHLVPHTL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8253590

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C35H50N4O8/c1-19-14-24-30(37-26-18-39-12-10-23(26)11-13-39)27(40)17-25(32(24)42)38-34(43)20(2)8-7-9-28(45-5)33(47-35(36)44)22(4)16-21(3)31(41)29(15-19)46-6/h7-9,16-17,19,21,23,26,28-29,31,33,37,41H,10-15,18H2,1-6H3,(H2,36,44)(H,38,43)/b9-7+,20-8-,22-16-/t19-,21+,26?,28+,29+,31-,33+/m1/s1
C35H50N4O8654.79352100
23205880

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C35H50N4O8/c1-19-14-24-30(37-26-18-39-12-10-23(26)11-13-39)27(40)17-25(32(24)42)38-34(43)20(2)8-7-9-28(45-5)33(47-35(36)44)22(4)16-21(3)31(41)29(15-19)46-6/h7-9,16-17,19,21,23,26,28-29,31,33,37,41H,10-15,18H2,1-6H3,(H2,36,44)(H,38,43)/b9-7-,20-8+,22-16+/t19-,21+,26?,28+,29+,31-,33+/m1/s1
C35H50N4O8654.79352200
58139767

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C35H50N4O8/c1-19-14-24-30(37-26-18-39-12-10-23(26)11-13-39)27(40)17-25(32(24)42)38-34(43)20(2)8-7-9-28(45-5)33(47-35(36)44)22(4)16-21(3)31(41)29(15-19)46-6/h7-9,16-17,19,21,23,26,28-29,31,33,37,41H,10-15,18H2,1-6H3,(H2,36,44)(H,38,43)/b9-7-,20-8-,22-16+/t19-,21+,26?,28+,29+,31-,33+/m1/s1
C35H50N4O8654.79351100

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