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: PNKHSWFZWPCKPB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4977581

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C62H111N11O12/c1-25-28-29-40(16)52(75)51-56(79)65-43(26-2)58(81)67(19)33-47(74)73(27-3)49(38(12)13)55(78)66-48(37(10)11)61(84)68(20)44(30-34(4)5)54(77)63-41(17)53(76)64-42(18)57(80)69(21)45(31-35(6)7)59(82)70(22)46(32-36(8)9)60(83)71(23)50(39(14)15)62(85)72(51)24/h25,28,34-46,48-52,75H,26-27,29-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b28-25+/t40-,41+,42-,43+,44+,45+,46+,48+,49+,50+,51+,52-/m1/s1
C62H111N11O121202.61124300
8009259

Double-bond stereo

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C62H111N11O12/c1-25-28-29-40(16)52(75)51-56(79)65-43(26-2)58(81)67(19)33-47(74)73(27-3)49(38(12)13)55(78)66-48(37(10)11)61(84)68(20)44(30-34(4)5)54(77)63-41(17)53(76)64-42(18)57(80)69(21)45(31-35(6)7)59(82)70(22)46(32-36(8)9)60(83)71(23)50(39(14)15)62(85)72(51)24/h25,28,34-46,48-52,75H,26-27,29-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b28-25+/t40-,41+,42-,43?,44+,45+,46+,48+,49?,50+,51+,52-/m1/s1
C62H111N11O121202.61122100

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