20-(carboxymethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-18-propyl-porphyrin-21,23-diide-2-carboxylic acid; copper

Systemtic Name: 20-(carboxymethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-18-propyl-porphyrin-21,23-diide-2-carboxylic acid; copper Openeye Name: 20-(carboxymethyl)-7-ethyl-3,8,13,17-tetramethyl-18-propyl-12-vinyl-porphyrin-21,23-diide-2-carboxylic acid; copper CAS Name: 20-(carboxymethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-18-propyl-2-porphyrin-21,23-diidecarboxylic acid; copper IUPAC Name: 20-(carboxymethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-18-propylporphyrin-21,23-diide-2-carboxylic acid; copper Traditional Name: 20-(carboxymethyl)-7-ethyl-3,8,13,17-tetramethyl-18-propyl-12-vinyl-porphine-21,23-diide-2-carboxylic acid; copper Formula: C34H34CuN4O4-2 MolecularWeight: 626.20416

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=NC1=C(C3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=C2)[N-]5)C)C=C)C)CC)C)C(=O)O)CC(=O)O)C.[Cu]

Isomeric SMILES

CCCC1=C(C2=NC1=C(C3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=C2)[N-]5)C)C=C)C)CC)C)C(=O)O)CC(=O)O)C.[Cu]

InChI

InChI=1S/C34H36N4O4.Cu/c1-8-11-22-18(6)26-13-24-16(4)20(9-2)28(35-24)14-25-17(5)21(10-3)29(36-25)15-27-19(7)31(34(41)42)33(38-27)23(12-30(39)40)32(22)37-26;/h9,13-15H,2,8,10-12H2,1,3-7H3,(H4,35,36,37,38,39,40,41,42);/p-2