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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 15 results

Search term: BTIJJDXEELBZFS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
401223

Charge

Double-bond stereo
InChI=1/C34H34N4O4.ClH.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1H;/q;;+3/p-3/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;
C34H32ClFeN4O4651.940334713215316
21918464

Charge

Double-bond stereo
InChI=1/C34H34N4O4.ClH.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1H;/q;;+3/p-3/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;/rC34H32ClFeN4O4/c1-7-21-17(3)25-13-29-20(6)24(10-12-34(43)44)32-16-28-23(9-11-33(41)42)18(4)26(38-28)14-31-22(8-2)19(5)30(15-27(21)37-25)39(31)36(35)40(29)32/h7-8,13-16H,1-2,9-12H2,3-6H3,(H,41,42)(H,43,44)/b25-13-,26-14-,27-15-,28-16-,29-13-,30-15-,31-14-,32-16-
C34H32ClFeN4O4651.9403222700
16739951

Charge

Double-bond stereo
InChI=1/C34H34N4O4.ClH.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1H;/q;;+3/p-3/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;/rC34H32ClFeN4O4/c1-7-21-17(3)26-14-31-22(8-2)19(5)29-13-25-18(4)23(9-11-33(41)42)28(38-25)16-32-24(10-12-34(43)44)20(6)30(15-27(21)37-26)40(32)36(35)39(29)31/h7-8,13-16H,1-2,9-12H2,3-6H3,(H,41,42)(H,43,44)/b25-13-,26-14-,27-15-,28-16-,29-13-,30-15-,31-14-,32-16-
C34H32ClFeN4O4651.94031514126
21396134

Charge

Double-bond stereo
InChI=1/C34H34N4O4.ClH.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1H;/q;;+3/p-3/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;/rC34H32ClFeN4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(41)42)31-16-32-24(10-12-34(43)44)20(6)28-15-30-22(8-2)18(4)27-14-29(21)37(25)36(35,38(27)30,39(26)31)40(28)32/h7-8,13-16H,1-2,9-12H2,3-6H3,(H,41,42)(H,43,44)
C34H32ClFeN4O4651.94028121000
29766311

Charge

Double-bond stereo
InChI=1/C34H34N4O4.ClH.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1H;/q;;+3/p-3/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;/rC34H32FeN4O4.ClH/c1-7-21-17(3)25-13-29-20(6)24(10-12-34(42)43)32-16-28-23(9-11-33(40)41)18(4)26(37-28)14-31-22(8-2)19(5)30(15-27(21)36-25)38(31)35-39(29)32;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H,40,41)(H,42,43);1H/q+1;/p-1/b25-13-,26-14-,27-15-,28-16-,29-13-,30-15-,31-14-,32-16-;
C34H32ClFeN4O4651.94034200
53608306

Charge

Double-bond stereo
InChI=1/C34H34N4O4.ClH.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1H;/q;;+3/p-3/b25-13-,26-13-,27-14-,28-15-,29-14+,30-15-,31-16-,32-16-;;/rC34H32ClFeN4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(41)42)31-16-32-24(10-12-34(43)44)20(6)28-15-30-22(8-2)18(4)27-14-29(21)37(25)36(35,38(27)30,39(26)31)40(28)32/h7-8,13-16H,1-2,9-12H2,3-6H3,(H,41,42)(H,43,44)
C34H32ClFeN4O4651.94033300
21429432

Charge

Double-bond stereo
InChI=1/C34H34N4O4.ClH.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1H;/q;;+3/p-3/b25-13+,26-13+,27-14+,28-15+,29-14+,30-15+,31-16+,32-16+;;
C34H32ClFeN4O4651.94032300
21160444

Charge

Double-bond stereo
InChI=1/C34H34N4O4.ClH.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1H;/q;;+3/p-3/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16u;;/rC34H32ClFeN4O4/c1-7-21-17(3)26-14-31-22(8-2)19(5)29-13-25-18(4)23(9-11-33(41)42)28(38-25)16-32-24(10-12-34(43)44)20(6)30(15-27(21)37-26)40(32)36(35)39(29)31/h7-8,13-16H,1-2,9-12H2,3-6H3,(H,41,42)(H,43,44)/b25-13-,26-14-,27-15-,28-16-,29-13-,30-15-,31-14-,32-16u
C34H32ClFeN4O4651.94032210
21248979

Charge

Double-bond stereo
InChI=1/C34H34N4O4.ClH.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1H;/q;;+3/p-3/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;/rC34H34N4O4.ClFe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;1-2/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
C34H32ClFeN4O4651.94032200
34978407

Charge

Double-bond stereo
InChI=1/C34H34N4O4.ClH.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1H;/q;;+3/p-3/b25-13+,26-13+,27-14+,28-15+,29-14+,30-15-,31-16-,32-16-;;/rC34H32ClFeN4O4/c1-7-21-17(3)25-13-29-20(6)24(10-12-34(43)44)32-16-28-23(9-11-33(41)42)18(4)26(38-28)14-31-22(8-2)19(5)30(15-27(21)37-25)39(31)36(35)40(29)32/h7-8,13-16H,1-2,9-12H2,3-6H3,(H,41,42)(H,43,44)/b25-13+,26-14+,27-15+,28-16-,29-13+,30-15+,31-14-,32-16-
C34H32ClFeN4O4651.94031100
65791284

Charge

Double-bond stereo
InChI=1/C34H34N4O4.ClH.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1H;/q;;+3/p-3/b25-13+,26-13+,27-14+,28-15+,29-14+,30-15+,31-16+,32-16+;;/rC34H32ClFeN4O4/c1-7-21-17(3)25-13-29-20(6)24(10-12-34(43)44)32-16-28-23(9-11-33(41)42)18(4)26(38-28)14-31-22(8-2)19(5)30(15-27(21)37-25)39(31)36(35)40(29)32/h7-8,13-16H,1-2,9-12H2,3-6H3,(H,41,42)(H,43,44)/b25-13+,26-14+,27-15+,28-16+,29-13+,30-15+,31-14+,32-16+
C34H32ClFeN4O4651.94031100
67030648

Charge

Double-bond stereo
InChI=1/C34H34N4O4.ClH.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1H;/q;;+3/p-3/b25-13+,26-13+,27-14+,28-15+,29-14+,30-15+,31-16+,32-16+;;/rC34H32ClFeN4O4/c1-7-21-17(3)26-14-31-22(8-2)19(5)29-13-25-18(4)23(9-11-33(41)42)28(38-25)16-32-24(10-12-34(43)44)20(6)30(15-27(21)37-26)40(32)36(35)39(29)31/h7-8,13-16H,1-2,9-12H2,3-6H3,(H,41,42)(H,43,44)/b25-13+,26-14+,27-15+,28-16+,29-13+,30-15+,31-14+,32-16+
C34H32ClFeN4O4651.94031900
72379726

Charge

Double-bond stereo
InChI=1/C34H34N4O4.ClH.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1H;/q;;+3/p-3/b25-13+,26-13-,27-14-,28-15-,29-14-,30-15?,31-16-,32-16+;;/rC34H32ClFeN4O4/c1-7-21-17(3)25-13-29-20(6)24(10-12-34(43)44)32-16-28-23(9-11-33(41)42)18(4)26(38-28)14-31-22(8-2)19(5)30(15-27(21)37-25)39(31)36(35)40(29)32/h7-8,13-16H,1-2,9-12H2,3-6H3,(H,41,42)(H,43,44)/b25-13+,26-14-,27-15-,28-16+,29-13-,30-15-,31-14?,32-16-
C34H32ClFeN4O4651.94031100
107434672

Charge

Double-bond stereo

Non-standard isotope
InChI=1/C34H34N4O4.ClH.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1H;/q;;+3/p-3/b25-13-,26-13-,27-14?,28-15-,29-14-,30-15-,31-16-,32-16?;;/i1D2,2D2,7D,8D;;/rC34H32ClFeN4O4/c1-7-21-17(3)25-13-29-20(6)24(10-12-34(43)44)32-16-28-23(9-11-33(41)42)18(4)26(38-28)14-31-22(8-2)19(5)30(15-27(21)37-25)39(31)36(35)40(29)32/h7-8,13-16H,1-2,9-12H2,3-6H3,(H,41,42)(H,43,44)/b25-13-,26-14-,27-15-,28-16?,29-13-,30-15?,31-14-,32-16-/i1D2,2D2,7D,8D
C34H26D6ClFeN4O4657.97731100

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