zinc 2-[(E)-2-(10,20-diphenylporphyrin-5-yl)ethenyl]-3-propan-2-yloxy-naphthalene-1,4-diolate

Systemtic Name: zinc 2-[(E)-2-(10,20-diphenylporphyrin-5-yl)ethenyl]-3-propan-2-yloxy-naphthalene-1,4-diolate Openeye Name: zinc 2-[(E)-2-(10,20-diphenylporphyrin-5-yl)vinyl]-3-isopropoxy-naphthalene-1,4-diolate CAS Name: zinc 2-[(E)-2-(10,20-diphenyl-5-porphyrinyl)ethenyl]-3-propan-2-yloxynaphthalene-1,4-diolate IUPAC Name: zinc 2-[(E)-2-(10,20-diphenylporphyrin-5-yl)ethenyl]-3-propan-2-yloxynaphthalene-1,4-diolate Traditional Name: zinc 2-[(E)-2-(10,20-diphenylporphin-5-yl)vinyl]-3-isopropoxy-naphthalene-1,4-diolate Formula: C47H32N4O3Zn MolecularWeight: 766.19098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C2=CC=CC=C2C(=C1C=CC3=C4C=CC(=N4)C(=C5C=CC(=N5)C=C6C=CC(=N6)C(=C7C=CC3=N7)C8=CC=CC=C8)C9=CC=CC=C9)[O-])[O-].[Zn+2]

Isomeric SMILES

CC(C)OC1=C(C2=CC=CC=C2C(=C1/C=C/C3=C4C=CC(=N4)C(=C5C=CC(=N5)C=C6C=CC(=N6)C(=C7C=CC3=N7)C8=CC=CC=C8)C9=CC=CC=C9)[O-])[O-].[Zn+2]

InChI

InChI=1S/C47H34N4O3.Zn/c1-28(2)54-47-36(45(52)33-15-9-10-16-34(33)46(47)53)20-19-35-37-23-25-41(50-37)43(29-11-5-3-6-12-29)39-21-17-31(48-39)27-32-18-22-40(49-32)44(30-13-7-4-8-14-30)42-26-24-38(35)51-42;/h3-28,52-53H,1-2H3;/q;+2/p-2/b20-19+,31-27?,32-27?,37-35?,38-35?,43-39?,43-41?,44-40?,44-42?;