zinc 2-anthracen-9-yl-7,12,17-triethyl-3,8,13,18-tetramethyl-porphyrin-21,23-diide

Systemtic Name: zinc 2-anthracen-9-yl-7,12,17-triethyl-3,8,13,18-tetramethyl-porphyrin-21,23-diide Openeye Name: zinc 2-(9-anthryl)-7,12,17-triethyl-3,8,13,18-tetramethyl-porphyrin-21,23-diide CAS Name: zinc 2-(9-anthracenyl)-7,12,17-triethyl-3,8,13,18-tetramethylporphyrin-21,23-diide IUPAC Name: zinc 2-anthracen-9-yl-7,12,17-triethyl-3,8,13,18-tetramethylporphyrin-21,23-diide Traditional Name: zinc 2-(9-anthryl)-7,12,17-triethyl-3,8,13,18-tetramethyl-porphine-21,23-diide Formula: C44H40N4Zn MolecularWeight: 690.2242

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=CC1=N2)[N-]5)C)C6=C7C=CC=CC7=CC8=CC=CC=C86)C)CC)C)CC)C.[Zn+2]

Isomeric SMILES

CCC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=CC1=N2)[N-]5)C)C6=C7C=CC=CC7=CC8=CC=CC=C86)C)CC)C)CC)C.[Zn+2]

InChI

InChI=1S/C44H40N4.Zn/c1-8-30-24(4)35-21-40-32(10-3)26(6)37(47-40)23-42-43(44-33-17-13-11-15-28(33)19-29-16-12-14-18-34(29)44)27(7)38(48-42)22-41-31(9-2)25(5)36(46-41)20-39(30)45-35;/h11-23H,8-10H2,1-7H3;/q-2;+2