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
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Found 2 results

Search term: WMBOUCBKWLVSOH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
58785718

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C48H76N6O9.CO2/c1-12-33(6)44(37(62-10)30-41(58)53-29-19-22-36(53)45(63-11)34(7)46(59)49-27-26-35-20-15-13-16-21-35)52(9)48(61)42(31(2)3)50-47(60)43(32(4)5)51(8)38(55)23-17-14-18-28-54-39(56)24-25-40(54)57;2-1-3/h13,15-16,20-21,24-25,31-34,36-37,42-45H,12,14,17-19,22-23,26-30H2,1-11H3,(H,49,59)(H,50,60);/t33-,34+,36-,37+,42-,43-,44-,45+;/m0./s1
C49H76N6O11925.16133300
111312673

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C48H76N6O9.CO2/c1-12-33(6)44(37(62-10)30-41(58)53-29-19-22-36(53)45(63-11)34(7)46(59)49-27-26-35-20-15-13-16-21-35)52(9)48(61)42(31(2)3)50-47(60)43(32(4)5)51(8)38(55)23-17-14-18-28-54-39(56)24-25-40(54)57;2-1-3/h13,15-16,20-21,24-25,31-34,36-37,42-45H,12,14,17-19,22-23,26-30H2,1-11H3,(H,49,59)(H,50,60);/t33-,34+,36-,37+,42-,43-,44-,45+;/m1./s1
C49H76N6O11925.16131100

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