zinc N-butyl-4-[15-[4-(butylamino)phenyl]porphyrin-21,22-diid-5-yl]aniline

Systemtic Name: zinc N-butyl-4-[15-[4-(butylamino)phenyl]porphyrin-21,22-diid-5-yl]aniline Openeye Name: zinc N-butyl-4-[15-[4-(butylamino)phenyl]porphyrin-21,22-diid-5-yl]aniline CAS Name: zinc N-butyl-4-[15-[4-(butylamino)phenyl]-5-porphyrin-21,22-diidyl]aniline IUPAC Name: zinc N-butyl-4-[15-[4-(butylamino)phenyl]porphyrin-21,22-diid-5-yl]aniline Traditional Name: zinc butyl-[4-[15-[4-(butylamino)phenyl]porphine-21,22-diid-5-yl]phenyl]amine Formula: C40H38N6Zn MolecularWeight: 668.17892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2[N-]6)C=C5)C7=CC=C(C=C7)NCCCC)C=C4)[N-]3.[Zn+2]

Isomeric SMILES

CCCCNC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2[N-]6)C=C5)C7=CC=C(C=C7)NCCCC)C=C4)[N-]3.[Zn+2]

InChI

InChI=1S/C40H38N6.Zn/c1-3-5-23-41-29-11-7-27(8-12-29)39-35-19-15-31(43-35)25-33-17-21-37(45-33)40(28-9-13-30(14-10-28)42-24-6-4-2)38-22-18-34(46-38)26-32-16-20-36(39)44-32;/h7-22,25-26,41-42H,3-6,23-24H2,1-2H3;/q-2;+2