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: OCNLJCZKGHKJGF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
21864729

Charge

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C45H62N6O12.C10H12N5O3.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H10,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-1/t23-,24-,25-,26+,40-,42-,43+,44+,45+;4-,6-,7-,10-;/m11./s1/rC55H73CoN11O15/c1-24-41-28(11-14-37(74)75)54(7,20-34(58)69)55(8,65-41)47-29(17-39(78)79)52(5,16-15-38(76)77)46(67(47)56-21-31-43(80)44(81)50(82-31)66-23-62-42-48(59)60-22-61-49(42)66)25(2)40-27(10-13-36(72)73)51(3,4)32(64-40)18-30-26(9-12-35(70)71)53(6,19-33(57)68)45(24)63-30/h18,22-23,26-29,31,43-44,47,50,80-81H,9-17,19-21H2,1-8H3,(H2,57,68)(H2,58,69)(H,70,71)(H,72,73)(H,74,75)(H,76,77)(H,78,79)(H2,59,60,61)/q+1/b32-18-,45-24-,46-25-/t26-,27-,28-,29+,31-,43-,44-,47-,50-,52-,53+,54+,55+/m1/s1
C55H73CoN11O151187.16551100
26331207

Charge

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C45H62N6O12.C10H12N5O3.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H10,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-6/t23-,24-,25-,26+,40-,42-,43+,44+,45+;4-,6-,7-,10-;/m11./s1/rC55H73CoN11O15/c1-24-41-28(11-14-37(74)75)54(7,20-34(58)69)55(8,65-41)47-29(17-39(78)79)52(5,16-15-38(76)77)46(67(47)56-21-31-43(80)44(81)50(82-31)66-23-62-42-48(59)60-22-61-49(42)66)25(2)40-27(10-13-36(72)73)51(3,4)32(64-40)18-30-26(9-12-35(70)71)53(6,19-33(57)68)45(24)63-30/h18,22-23,26-29,31,43-44,47,50,80-81H,9-17,19-21H2,1-8H3,(H2,57,68)(H2,58,69)(H,70,71)(H,72,73)(H,74,75)(H,76,77)(H,78,79)(H2,59,60,61)/q+1/p-5/b32-18-,45-24-,46-25-/t26-,27-,28-,29+,31-,43-,44-,47-,50-,52-,53+,54+,55+/m1/s1
C55H68CoN11O151182.12851100

Advertisement