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: ZJHKSGOKZKQBNJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8709522

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C54H96N8O12/c1-13-35(11)46-53(72)60-42(30-45(65)66)50(69)59-41(28-34(9)10)52(71)62-47(36(12)14-2)54(73)74-37(23-21-19-17-15-16-18-20-22-31(3)4)29-44(64)56-38(24-25-43(55)63)48(67)57-39(26-32(5)6)49(68)58-40(27-33(7)8)51(70)61-46/h31-42,46-47H,13-30H2,1-12H3,(H2,55,63)(H,56,64)(H,57,67)(H,58,68)(H,59,69)(H,60,72)(H,61,70)(H,62,71)(H,65,66)/t35-,36-,37?,38-,39-,40-,41-,42-,46-,47-/m0/s1
C54H96N8O121049.38642100
78437917

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C54H96N8O12/c1-13-35(11)46-53(72)60-42(30-45(65)66)50(69)59-41(28-34(9)10)52(71)62-47(36(12)14-2)54(73)74-37(23-21-19-17-15-16-18-20-22-31(3)4)29-44(64)56-38(24-25-43(55)63)48(67)57-39(26-32(5)6)49(68)58-40(27-33(7)8)51(70)61-46/h31-42,46-47H,13-30H2,1-12H3,(H2,55,63)(H,56,64)(H,57,67)(H,58,68)(H,59,69)(H,60,72)(H,61,70)(H,62,71)(H,65,66)/t35-,36-,37?,38-,39-,40+,41+,42-,46-,47-/m0/s1
C54H96N8O121049.38641100

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