[4-[15-[4-(2-hydroxyethyloxycarbonyl)phenyl]-10,20-bis(4-methoxycarbonylphenyl)porphyrin-22-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]-methoxy-methanolate

Systemtic Name: [4-[15-[4-(2-hydroxyethyloxycarbonyl)phenyl]-10,20-bis(4-methoxycarbonylphenyl)porphyrin-22-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]-methoxy-methanolate Openeye Name: [4-[15-[4-(2-hydroxyethoxycarbonyl)phenyl]-10,20-bis(4-methoxycarbonylphenyl)porphyrin-22-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]-methoxy-methanolate CAS Name: [4-[15-[4-[2-hydroxyethoxy(oxo)methyl]phenyl]-10,20-bis(4-methoxycarbonylphenyl)-5-porphyrin-22-idylidene]-1-cyclohexa-2,5-dienylidene]-methoxymethanolate IUPAC Name: [4-[15-[4-(2-hydroxyethoxycarbonyl)phenyl]-10,20-bis(4-methoxycarbonylphenyl)porphyrin-22-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]-methoxymethanolate Traditional Name: [4-[10,20-bis(4-carbomethoxyphenyl)-15-[4-(2-hydroxyethoxycarbonyl)phenyl]porphin-22-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]-methoxy-methanolate Formula: C53H38N4O9-2 MolecularWeight: 874.89022

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Descriptors Computed from Structure

Canonical SMILES:

COC(=C1C=CC(=C2C3=NC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=C(C=C7)C(=O)OC)C=C5)C8=CC=C(C=C8)C(=O)OCCO)C=C4)C9=CC=C(C=C9)C(=O)OC)C=C3)C=C1)[O-]

Isomeric SMILES

COC(=C1C=CC(=C2C3=NC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=C(C=C7)C(=O)OC)C=C5)C8=CC=C(C=C8)C(=O)OCCO)C=C4)C9=CC=C(C=C9)C(=O)OC)C=C3)C=C1)[O-]

InChI

InChI=1S/C53H40N4O9/c1-63-50(59)34-12-4-30(5-13-34)46-38-20-22-40(54-38)47(31-6-14-35(15-7-31)51(60)64-2)42-24-26-44(56-42)49(33-10-18-37(19-11-33)53(62)66-29-28-58)45-27-25-43(57-45)48(41-23-21-39(46)55-41)32-8-16-36(17-9-32)52(61)65-3/h4-27,58H,28-29H2,1-3H3,(H2,54,55,56,57,59,60,61,62)/p-2