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 2 results

Search term: JSNIAKPKPNJUEP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
62975696

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C57H96N10O12/c1-30(2)22-39-52(73)63(17)47(34(9)10)56(77)65-21-19-20-41(65)54(75)62(16)42(24-32(5)6)49(70)58-27-45(69)79-37(13)48(51(72)60-40(23-31(3)4)53(74)66-28-35(11)25-43(66)50(71)59-39)64(18)55(76)44-26-36(12)29-67(44)57(78)46(33(7)8)61(15)38(14)68/h30-37,39-44,46-48H,19-29H2,1-18H3,(H,58,70)(H,59,71)(H,60,72)/t35-,36-,37-,39+,40+,41+,42-,43+,44+,46+,47+,48+/m1/s1
C57H96N10O121113.43196500
4572416

9 of 12 defined stereocentres - 9/12 defined
InChI=1/C57H96N10O12/c1-30(2)22-39-52(73)63(17)47(34(9)10)56(77)65-21-19-20-41(65)54(75)62(16)42(24-32(5)6)49(70)58-27-45(69)79-37(13)48(51(72)60-40(23-31(3)4)53(74)66-28-35(11)25-43(66)50(71)59-39)64(18)55(76)44-26-36(12)29-67(44)57(78)46(33(7)8)61(15)38(14)68/h30-37,39-44,46-48H,19-29H2,1-18H3,(H,58,70)(H,59,71)(H,60,72)/t35-,36-,37?,39+,40+,41?,42+,43?,44+,46+,47+,48+/m1/s1
C57H96N10O121113.43191100

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