zinc methoxy-[4-[10,15,20-tri(tridecan-7-yl)porphyrin-24-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate

Systemtic Name: zinc methoxy-[4-[10,15,20-tri(tridecan-7-yl)porphyrin-24-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate Openeye Name: zinc methoxy-[4-[10,15,20-tris(1-hexylheptyl)porphyrin-24-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate CAS Name: zinc methoxy-[4-[10,15,20-tri(tridecan-7-yl)-5-porphyrin-24-idylidene]-1-cyclohexa-2,5-dienylidene]methanolate IUPAC Name: zinc methoxy-[4-[10,15,20-tri(tridecan-7-yl)porphyrin-24-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate Traditional Name: zinc methoxy-[4-[10,15,20-tris(1-hexylheptyl)porphin-24-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate Formula: C67H96N4O2Zn MolecularWeight: 1054.91374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCC)C1=C2C=CC(=N2)C(=C3C=CC(=C([O-])OC)C=C3)C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC1=N6)C(CCCCCC)CCCCCC)C(CCCCCC)CCCCCC)C=C4.[Zn+2]

Isomeric SMILES

CCCCCCC(CCCCCC)C1=C2C=CC(=N2)C(=C3C=CC(=C([O-])OC)C=C3)C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC1=N6)C(CCCCCC)CCCCCC)C(CCCCCC)CCCCCC)C=C4.[Zn+2]

InChI

InChI=1S/C67H97N4O2.Zn/c1-8-14-20-26-32-50(33-27-21-15-9-2)63-55-42-44-57(68-55)64(51(34-28-22-16-10-3)35-29-23-17-11-4)59-46-48-61(70-59)66(53-38-40-54(41-39-53)67(72)73-7)62-49-47-60(71-62)65(58-45-43-56(63)69-58)52(36-30-24-18-12-5)37-31-25-19-13-6;/h38-52H,8-37H2,1-7H3,(H-,68,69,70,71,72);/q-1;+2/p-1