zinc methyl (E)-3-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)prop-2-enoate

Systemtic Name: zinc methyl (E)-3-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)prop-2-enoate Openeye Name: zinc methyl (E)-3-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)prop-2-enoate CAS Name: zinc (E)-3-(10,15,20-triphenyl-5-porphyrin-22,24-diidyl)-2-propenoic acid methyl ester IUPAC Name: zinc methyl (E)-3-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)prop-2-enoate Traditional Name: zinc (E)-3-(10,15,20-triphenylporphine-22,24-diid-5-yl)acrylic acid methyl ester Formula: C42H28N4O2Zn MolecularWeight: 686.10632

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=C2C=CC(=N2)C(=C3C=CC(=C(C4=NC(=C(C5=CC=C1[N-]5)C6=CC=CC=C6)C=C4)C7=CC=CC=C7)[N-]3)C8=CC=CC=C8.[Zn+2]

Isomeric SMILES

COC(=O)/C=C/C1=C2C=CC(=N2)C(=C3C=CC(=C(C4=NC(=C(C5=CC=C1[N-]5)C6=CC=CC=C6)C=C4)C7=CC=CC=C7)[N-]3)C8=CC=CC=C8.[Zn+2]

InChI

InChI=1S/C42H29N4O2.Zn/c1-48-39(47)26-17-30-31-18-20-33(43-31)40(27-11-5-2-6-12-27)35-22-24-37(45-35)42(29-15-9-4-10-16-29)38-25-23-36(46-38)41(28-13-7-3-8-14-28)34-21-19-32(30)44-34;/h2-26H,1H3,(H-,43,44,45,46,47);/q-1;+2/p-1