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: DATNNKFILXRROV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8187118

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C60H97N9O14/c1-20-36(9)49-51(73)61-32-44(71)65(16)47(34(5)6)52(74)62-41(30-39-25-27-40(70)28-26-39)59(81)82-38(11)54(76)69-29-23-22-24-42(69)55(77)66(17)48(35(7)8)53(75)63-46(33(3)4)57(79)64(15)43(31-45(72)83-60(12,13)14)56(78)68(19)50(37(10)21-2)58(80)67(49)18/h25-28,33-38,41-43,46-50,70H,20-24,29-32H2,1-19H3,(H,61,73)(H,62,74)(H,63,75)/t36-,37-,38+,41-,42-,43-,46-,47-,48-,49-,50-/m0/s1
C60H97N9O141168.46412100
26637975

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C60H97N9O14/c1-20-36(9)49-51(73)61-32-44(71)65(16)47(34(5)6)52(74)62-41(30-39-25-27-40(70)28-26-39)59(81)82-38(11)54(76)69-29-23-22-24-42(69)55(77)66(17)48(35(7)8)53(75)63-46(33(3)4)57(79)64(15)43(31-45(72)83-60(12,13)14)56(78)68(19)50(37(10)21-2)58(80)67(49)18/h25-28,33-38,41-43,46-50,70H,20-24,29-32H2,1-19H3,(H,61,73)(H,62,74)(H,63,75)/t36-,37+,38-,41+,42+,43-,46+,47+,48+,49+,50+/m1/s1
C60H97N9O141168.46412200

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