1.0 2010-04-08 22:12:31 UTC 2017-04-03 04:55:56 UTC FDB016591 C.I. Natural green 5 Food and cosmetic colourant C.I. 75815 Chlorophyllin copper complex E141 Potassium-sodium-copper chlorophyllin Sodium-potassium-copper chlorophyllin C68H66Cu2N8O13 1330.389 1328.334136396 11006-34-1 CCC1=C(C)C2=[N]3C1=CC1=C(C)C(C(O)=O)=C4N1[Cu]31N3C(=CC5=[N]1C(C(CCC(O)=O)C5C)=C4CC(O)=O)C(C)=C(C=C)C3=C2.CCC1=C(C=O)C2=[N]3C1=CC1=C(C)C(C(O)=O)=C4N1[Cu]31N3C(=CC5=[N]1C(C(CCC(O)=O)C5C)=C4CC(O)=O)C(C)=C(C=C)C3=C2 InChI=1S/C34H34N4O7.C34H36N4O6.2Cu/c1-6-18-15(3)23-11-24-16(4)20(8-9-29(40)41)32(37-24)21(10-30(42)43)33-31(34(44)45)17(5)25(38-33)12-27-19(7-2)22(14-39)28(36-27)13-26(18)35-23;1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23;;/h6,11-14,16,20H,1,7-10H2,2-5H3,(H5,35,36,37,38,39,40,41,42,43,44,45);7,12-14,17,21H,1,8-11H2,2-6H3,(H5,35,36,37,38,39,40,41,42,43,44);;/q;;2*+2/p-4 MEJFPNIVBALRRN-UHFFFAOYSA-J belongs to the class of organic compounds known as chlorins. These are large heterocyclic aromatic ring systems consisting, at the core, of three pyrroles and one pyrroline coupled through four methine linkages. Chlorins Organic compounds Organoheterocyclic compounds Tetrapyrroles and derivatives Chlorins Azacyclic compounds Carbonyl compounds Carboxylic acid salts Carboxylic acids Enolates Heteroaromatic compounds Hydrocarbon derivatives Ketimines Organic copper salts Organic oxides Organic zwitterions Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Pyrrole carboxylic acids Pyrrolines Substituted pyrroles Tricarboxylic acids and derivatives Aromatic heteropolycyclic compound Azacycle Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid salt Chlorin Enolate Heteroaromatic compound Hydrocarbon derivative Imine Ketimine Organic 1,3-dipolar compound Organic copper salt Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic transition metal salt Organic zwitterion Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Pyrrole Pyrrole-3-carboxylic acid Pyrrole-3-carboxylic acid or derivatives Pyrroline Substituted pyrrole Tricarboxylic acid or derivatives average_mass 1330.389 ChemAxon mono_mass 1328.334136396 ChemAxon smiles CCC1=C(C)C2=[N]3C1=CC1=C(C)C(C(O)=O)=C4N1[Cu]31N3C(=CC5=[N]1C(C(CCC(O)=O)C5C)=C4CC(O)=O)C(C)=C(C=C)C3=C2.CCC1=C(C=O)C2=[N]3C1=CC1=C(C)C(C(O)=O)=C4N1[Cu]31N3C(=CC5=[N]1C(C(CCC(O)=O)C5C)=C4CC(O)=O)C(C)=C(C=C)C3=C2 ChemAxon formula C68H66Cu2N8O13 ChemAxon inchi InChI=1S/C34H34N4O7.C34H36N4O6.2Cu/c1-6-18-15(3)23-11-24-16(4)20(8-9-29(40)41)32(37-24)21(10-30(42)43)33-31(34(44)45)17(5)25(38-33)12-27-19(7-2)22(14-39)28(36-27)13-26(18)35-23;1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23;;/h6,11-14,16,20H,1,7-10H2,2-5H3,(H5,35,36,37,38,39,40,41,42,43,44,45);7,12-14,17,21H,1,8-11H2,2-6H3,(H5,35,36,37,38,39,40,41,42,43,44);;/q;;2*+2/p-4 ChemAxon inchikey MEJFPNIVBALRRN-UHFFFAOYSA-J ChemAxon polar_surface_area 175.56 ChemAxon refractivity 178.3 ChemAxon polarizability 69.51 ChemAxon rotatable_bond_count 17 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon HMDB37513 #<Reference:0x000055ce32bdfa78>