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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 5 results

Search term: SXDINBXHOHHTMY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
57524801

Charge

Double-bond stereo
InChI=1/C36H38N4O8.Fe/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29;/h13-16H,5-12H2,1-4H3,(H6,37,38,39,40,41,42,43,44,45,46,47,48);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;/rC36H36FeN4O8/c1-17-22(6-10-34(44)45)28-16-32-24(8-12-36(48)49)20(4)30-15-27-21(5-9-33(42)43)18(2)26(39-27)14-31-23(7-11-35(46)47)19(3)29(13-25(17)38-28)40(31)37-41(30)32/h13-16H,5-12H2,1-4H3,(H,42,43)(H,44,45)(H,46,47)(H,48,49)/b25-13-,26-14-,27-15-,28-16-,29-13-,30-15-,31-14-,32-16-
C36H36FeN4O8708.5383300
28532770

Charge

Double-bond stereo
InChI=1/C36H38N4O8.Fe/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29;/h13-16H,5-12H2,1-4H3,(H6,37,38,39,40,41,42,43,44,45,46,47,48);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;/rC36H36FeN4O8/c1-17-21(5-9-33(42)43)29-14-27-19(3)22(6-10-34(44)45)30-15-28-20(4)24(8-12-36(48)49)32-16-31-23(7-11-35(46)47)18(2)26-13-25(17)38(29)37(39(26)31,40(27)30)41(28)32/h13-16H,5-12H2,1-4H3,(H,42,43)(H,44,45)(H,46,47)(H,48,49)
C36H36FeN4O8708.5382200
28533185

Charge

Double-bond stereo
InChI=1/C36H38N4O8.Fe/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29;/h13-16H,5-12H2,1-4H3,(H6,37,38,39,40,41,42,43,44,45,46,47,48);/q;+2/p-6/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;/rC36H36FeN4O8/c1-17-21(5-9-33(42)43)29-14-27-19(3)22(6-10-34(44)45)30-15-28-20(4)24(8-12-36(48)49)32-16-31-23(7-11-35(46)47)18(2)26-13-25(17)38(29)37(39(26)31,40(27)30)41(28)32/h13-16H,5-12H2,1-4H3,(H,42,43)(H,44,45)(H,46,47)(H,48,49)/p-4
C36H32FeN4O8704.50851100
61709710

Charge

Double-bond stereo
InChI=1/C36H38N4O8.Fe/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29;/h13-16H,5-12H2,1-4H3,(H6,37,38,39,40,41,42,43,44,45,46,47,48);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;/rC36H36FeN4O8/c1-17-21(5-9-33(42)43)27-15-30-20(4)23(7-11-35(46)47)31-14-26-18(2)22(6-10-34(44)45)28(39-26)16-32-24(8-12-36(48)49)19(3)29(13-25(17)38-27)40(32)37-41(30)31/h13-16H,5-12H2,1-4H3,(H,42,43)(H,44,45)(H,46,47)(H,48,49)/b25-13-,26-14-,27-15-,28-16-,29-13-,30-15-,31-14-,32-16-
C36H36FeN4O8708.5381400
394483

Charge

Double-bond stereo
InChI=1/C36H38N4O8.Fe/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29;/h13-16H,5-12H2,1-4H3,(H6,37,38,39,40,41,42,43,44,45,46,47,48);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
C36H36FeN4O8708.5380399999991200

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