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: USDOYNAPNXMXOE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9896848

Double-bond stereo

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-34(3)50(59)53(62,68-40)52(61)54-23-15-14-18-41(54)51(60)67-45(36(5)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)35(4)27-38(7)48(58)49(65-10)47(57)37(6)26-32/h11-13,16-17,27,32,34-37,39-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,38-27+/t32-,34-,35-,36-,37-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53?/m1/s1
C53H83NO14958.22444600
48062928

Double-bond stereo

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-34(3)50(59)53(62,68-40)52(61)54-23-15-14-18-41(54)51(60)67-45(36(5)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)35(4)27-38(7)48(58)49(65-10)47(57)37(6)26-32/h11-13,16-17,27,32,34-37,39-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3/b13-11-,16-12-,33-17-,38-27-/t32-,34-,35-,36-,37-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53?/m1/s1
C53H83NO14958.22442200
68025757

Double-bond stereo

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-34(3)50(59)53(62,68-40)52(61)54-23-15-14-18-41(54)51(60)67-45(36(5)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)35(4)27-38(7)48(58)49(65-10)47(57)37(6)26-32/h11-13,16-17,27,32,34-37,39-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3/b13-11-,16-12+,33-17+,38-27+/t32-,34-,35-,36-,37-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53?/m1/s1
C53H83NO14958.22441100

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