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: INZMKXLZKOBOMM-NDGJPWGKDK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
432064

3 of 10 defined stereocentres - 3/10 defined
InChI=1/C58H74N10O12/c1-4-5-6-28-80-44-24-20-39(21-25-44)37-14-12-36(13-15-37)38-16-18-40(19-17-38)51(73)63-45-8-7-27-61-54(76)47-29-41(62-58(59)60)31-67(47)56(78)49(33(2)69)66-53(75)46(26-11-35-9-22-42(71)23-10-35)64-55(77)48-30-43(72)32-68(48)57(79)50(34(3)70)65-52(45)74/h9-10,12-25,33-34,41,43,45-50,69-72H,4-8,11,26-32H2,1-3H3,(H,61,76)(H,63,73)(H,64,77)(H,65,74)(H,66,75)(H4,59,60,62)/t33?,34?,41-,43+,45-,46?,47?,48?,49?,50?/m0/s1
C58H74N10O121103.2682200
34523450

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C58H74N10O12/c1-4-5-6-28-80-44-24-20-39(21-25-44)37-14-12-36(13-15-37)38-16-18-40(19-17-38)51(73)63-45-8-7-27-61-54(76)47-29-41(62-58(59)60)31-67(47)56(78)49(33(2)69)66-53(75)46(26-11-35-9-22-42(71)23-10-35)64-55(77)48-30-43(72)32-68(48)57(79)50(34(3)70)65-52(45)74/h9-10,12-25,33-34,41,43,45-50,69-72H,4-8,11,26-32H2,1-3H3,(H,61,76)(H,63,73)(H,64,77)(H,65,74)(H,66,75)(H4,59,60,62)/t33-,34-,41+,43-,45+,46+,47+,48+,49+,50+/m1/s1
C58H74N10O121103.2681100

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