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: MBPYYBXSIMRVJP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8829184

5 of 10 defined stereocentres - 5/10 defined
InChI=1/C58H106N10O12/c1-17-20-21-22-23-24-26-38(8)52(77)68-29-25-27-44(68)49(74)62-43(32-36(6)31-42(71)33-41(70)19-3)48(73)61-40(10)47(72)65-56(11,12)54(79)64-46(37(7)18-2)50(75)63-45(35(4)5)51(76)66-58(15,16)55(80)67-57(13,14)53(78)60-39(9)34-59-28-30-69/h35-40,42-46,59,69,71H,17-34H2,1-16H3,(H,60,78)(H,61,73)(H,62,74)(H,63,75)(H,64,79)(H,65,72)(H,66,76)(H,67,80)/t36?,37-,38?,39?,40-,42?,43?,44-,45-,46-/m0/s1
C58H106N10O121135.5222100
78444825

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C58H106N10O12/c1-17-20-21-22-23-24-26-38(8)52(77)68-29-25-27-44(68)49(74)62-43(32-36(6)31-42(71)33-41(70)19-3)48(73)61-40(10)47(72)65-56(11,12)54(79)64-46(37(7)18-2)50(75)63-45(35(4)5)51(76)66-58(15,16)55(80)67-57(13,14)53(78)60-39(9)34-59-28-30-69/h35-40,42-46,59,69,71H,17-34H2,1-16H3,(H,60,78)(H,61,73)(H,62,74)(H,63,75)(H,64,79)(H,65,72)(H,66,76)(H,67,80)
C58H106N10O121135.5221100

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