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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 6 results

Search term: Fe-coproporphyrin III (Found by synonym)
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
76963456

Charge

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C36H46N4O8.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;/h26-27,30-31,38-39H,5-16H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48);/q-2;+2/p-4/rC36H46FeN4O8/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/h26-27,30-31,39-40H,5-16H2,1-4H3,(H,42,43)(H,44,45)(H,46,47)(H,48,49)/p-4
C36H42FeN4O8714.58791100
76963469

Charge

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C36H46N4O8.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;/h26-27,30-31,38-39H,5-16H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48);/q-2;+2/rC36H46FeN4O8/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/h26-27,30-31,39-40H,5-16H2,1-4H3,(H,42,43)(H,44,45)(H,46,47)(H,48,49)
C36H46FeN4O8718.61741100
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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