zinc 4-chloranyl-7-methyl-3-[10,15,20-tris(4-chloranyl-7-methyl-2-oxidanylidene-chromen-3-yl)porphyrin-22,23-diid-5-yl]chromen-2-one

Systemtic Name: zinc 4-chloranyl-7-methyl-3-[10,15,20-tris(4-chloranyl-7-methyl-2-oxidanylidene-chromen-3-yl)porphyrin-22,23-diid-5-yl]chromen-2-one Openeye Name: zinc 4-chloro-7-methyl-3-[10,15,20-tris(4-chloro-7-methyl-2-oxo-chromen-3-yl)porphyrin-22,23-diid-5-yl]chromen-2-one CAS Name: zinc 4-chloro-7-methyl-3-[10,15,20-tris(4-chloro-7-methyl-2-oxo-1-benzopyran-3-yl)-5-porphyrin-22,23-diidyl]-1-benzopyran-2-one IUPAC Name: zinc 4-chloro-7-methyl-3-[10,15,20-tris(4-chloro-7-methyl-2-oxochromen-3-yl)porphyrin-22,23-diid-5-yl]chromen-2-one Traditional Name: zinc 4-chloro-7-methyl-3-[10,15,20-tris(4-chloro-2-keto-7-methyl-chromen-3-yl)porphine-22,23-diid-5-yl]coumarin Formula: C60H32Cl4N4O8Zn MolecularWeight: 1144.13908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=C4C=CC(=C(C5=CC=C([N-]5)C(=C6C=CC(=N6)C(=C7C=CC3=N7)C8=C(C9=C(C=C(C=C9)C)OC8=O)Cl)C1=C(C2=C(C=C(C=C2)C)OC1=O)Cl)C1=C(C2=C(C=C(C=C2)C)OC1=O)Cl)[N-]4)Cl.[Zn+2]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=C4C=CC(=C(C5=CC=C([N-]5)C(=C6C=CC(=N6)C(=C7C=CC3=N7)C8=C(C9=C(C=C(C=C9)C)OC8=O)Cl)C1=C(C2=C(C=C(C=C2)C)OC1=O)Cl)C1=C(C2=C(C=C(C=C2)C)OC1=O)Cl)[N-]4)Cl.[Zn+2]

InChI

InChI=1S/C60H32Cl4N4O8.Zn/c1-25-5-9-29-41(21-25)73-57(69)49(53(29)61)45-33-13-15-35(65-33)46(50-54(62)30-10-6-26(2)22-42(30)74-58(50)70)37-17-19-39(67-37)48(52-56(64)32-12-8-28(4)24-44(32)76-60(52)72)40-20-18-38(68-40)47(36-16-14-34(45)66-36)51-55(63)31-11-7-27(3)23-43(31)75-59(51)71;/h5-24H,1-4H3;/q-2;+2