methoxy-[4-(10,15,20-triphenylporphyrin-22-id-5-ylidene)cyclohexa-2,5-dien-1-ylidene]methanolate; platinum(2+)

Systemtic Name: methoxy-[4-(10,15,20-triphenylporphyrin-22-id-5-ylidene)cyclohexa-2,5-dien-1-ylidene]methanolate; platinum(2+) Openeye Name: methoxy-[4-(10,15,20-triphenylporphyrin-22-id-5-ylidene)cyclohexa-2,5-dien-1-ylidene]methanolate; platinum(2+) CAS Name: methoxy-[4-(10,15,20-triphenyl-5-porphyrin-22-idylidene)-1-cyclohexa-2,5-dienylidene]methanolate; platinum(2+) IUPAC Name: methoxy-[4-(10,15,20-triphenylporphyrin-22-id-5-ylidene)cyclohexa-2,5-dien-1-ylidene]methanolate; platinum(2+) Traditional Name: methoxy-[4-(10,15,20-triphenylporphin-22-id-5-ylidene)cyclohexa-2,5-dien-1-ylidene]methanolate; platinum(2+) Formula: C46H30N4O2Pt MolecularWeight: 865.834

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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=CC=C7)C=C5)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)C=C3)C=C1)[O-].[Pt+2]

Isomeric SMILES

COC(=C1C=CC(=C2C3=NC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)C=C3)C=C1)[O-].[Pt+2]

InChI

InChI=1S/C46H31N4O2.Pt/c1-52-46(51)33-19-17-32(18-20-33)45-40-27-25-38(49-40)43(30-13-7-3-8-14-30)36-23-21-34(47-36)42(29-11-5-2-6-12-29)35-22-24-37(48-35)44(31-15-9-4-10-16-31)39-26-28-41(45)50-39;/h2-28H,1H3,(H-,47,48,49,50,51);/q-1;+2/p-1