copper (Z)-[10,20-di(pentan-3-yl)porphyrin-22-id-5-ylidene]methanolate

Systemtic Name: copper (Z)-[10,20-di(pentan-3-yl)porphyrin-22-id-5-ylidene]methanolate Openeye Name: copper (Z)-[10,20-bis(1-ethylpropyl)porphyrin-22-id-5-ylidene]methanolate CAS Name: copper (Z)-[10,20-di(pentan-3-yl)-5-porphyrin-22-idylidene]methanolate IUPAC Name: copper (Z)-[10,20-di(pentan-3-yl)porphyrin-22-id-5-ylidene]methanolate Traditional Name: cupric (Z)-[10,20-bis(1-ethylpropyl)porphin-22-id-5-ylidene]methanolate Formula: C31H32CuN4O MolecularWeight: 540.15798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H33N4O.Cu/c1-5-19(6-2)30-26-11-9-21(32-26)17-22-10-12-27(33-22)31(20(7-3)8-4)29-16-14-25(35-29)23(18-36)24-13-15-28(30)34-24;/h9-20H,5-8H2,1-4H3,(H-,32,33,34,35,36);/q-1;+2/p-1