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: WHHACJFHGITGOJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
60498509

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C62H111N11O12/c1-24-25-27-41(14)53(76)52-57(80)63-29-26-28-48(74)67(17)34-49(75)68(18)44(30-35(2)3)56(79)66-50(39(10)11)61(84)69(19)45(31-36(4)5)55(78)64-42(15)54(77)65-43(16)58(81)70(20)46(32-37(6)7)59(82)71(21)47(33-38(8)9)60(83)72(22)51(40(12)13)62(85)73(52)23/h24-25,35-47,50-53,76H,26-34H2,1-23H3,(H,63,80)(H,64,78)(H,65,77)(H,66,79)/b25-24+/t41-,42-,43+,44-,45-,46-,47-,50-,51+,52?,53-/m0/s1
C62H111N11O121202.61127700
114553127

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C62H111N11O12/c1-24-25-27-41(14)53(76)52-57(80)63-29-26-28-48(74)67(17)34-49(75)68(18)44(30-35(2)3)56(79)66-50(39(10)11)61(84)69(19)45(31-36(4)5)55(78)64-42(15)54(77)65-43(16)58(81)70(20)46(32-37(6)7)59(82)71(21)47(33-38(8)9)60(83)72(22)51(40(12)13)62(85)73(52)23/h24-25,35-47,50-53,76H,26-34H2,1-23H3,(H,63,80)(H,64,78)(H,65,77)(H,66,79)/b25-24+/t41-,42-,43+,44-,45-,46-,47-,50-,51+,52?,53-/m1/s1
C62H111N11O121202.61121100

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