copper 2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-porphyrin-21,22-diide

Systemtic Name: copper 2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-porphyrin-21,22-diide Openeye Name: copper 2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-porphyrin-21,22-diide CAS Name: copper 2,8,12,18-tetrabutyl-3,7,13,17-tetramethylporphyrin-21,22-diide IUPAC Name: copper 2,8,12,18-tetrabutyl-3,7,13,17-tetramethylporphyrin-21,22-diide Traditional Name: cupric 2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-porphine-21,22-diide Formula: C40H52CuN4 MolecularWeight: 652.41368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)CCCC)C)C)CCCC)CCCC)C)C.[Cu+2]

Isomeric SMILES

CCCCC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)CCCC)C)C)CCCC)CCCC)C)C.[Cu+2]

InChI

InChI=1S/C40H52N4.Cu/c1-9-13-17-29-25(5)33-21-34-27(7)31(19-15-11-3)39(43-34)24-40-32(20-16-12-4)28(8)36(44-40)22-35-26(6)30(18-14-10-2)38(42-35)23-37(29)41-33;/h21-24H,9-20H2,1-8H3;/q-2;+2