copper (Z)-[10,20-bis(2-methylpropyl)porphyrin-22-id-5-ylidene]methanolate

Systemtic Name: copper (Z)-[10,20-bis(2-methylpropyl)porphyrin-22-id-5-ylidene]methanolate Openeye Name: copper (Z)-(10,20-diisobutylporphyrin-22-id-5-ylidene)methanolate CAS Name: copper (Z)-[10,20-bis(2-methylpropyl)-5-porphyrin-22-idylidene]methanolate IUPAC Name: copper (Z)-[10,20-bis(2-methylpropyl)porphyrin-22-id-5-ylidene]methanolate Traditional Name: cupric (Z)-(10,20-diisobutylporphin-22-id-5-ylidene)methanolate Formula: C29H28CuN4O MolecularWeight: 512.10482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C2C=CC(=N2)C=C3C=CC(=N3)C(=C4C=CC(=N4)C(=C[O-])C5=CC=C1[N-]5)CC(C)C.[Cu+2]

Isomeric SMILES

CC(C)CC1=C2C=CC(=N2)C=C3C=CC(=N3)C(=C4C=CC(=N4)/C(=C\[O-])/C5=CC=C1[N-]5)CC(C)C.[Cu+2]

InChI

InChI=1S/C29H29N4O.Cu/c1-17(2)13-21-24-7-5-19(30-24)15-20-6-8-25(31-20)22(14-18(3)4)27-10-12-29(33-27)23(16-34)28-11-9-26(21)32-28;/h5-12,15-18H,13-14H2,1-4H3,(H-,30,31,32,33,34);/q-1;+2/p-1