copper (E,3Z)-3-[8,12-bis(3-methoxy-3-oxidanylidene-propyl)-3,7,13,18-tetramethyl-porphyrin-22-id-2-ylidene]-3-chloranyl-prop-1-en-1-olate

Systemtic Name: copper (E,3Z)-3-[8,12-bis(3-methoxy-3-oxidanylidene-propyl)-3,7,13,18-tetramethyl-porphyrin-22-id-2-ylidene]-3-chloranyl-prop-1-en-1-olate Openeye Name: copper (E,3Z)-3-[8,12-bis(3-methoxy-3-oxo-propyl)-3,7,13,18-tetramethyl-porphyrin-22-id-2-ylidene]-3-chloro-prop-1-en-1-olate CAS Name: copper (E,3Z)-3-[8,12-bis(3-methoxy-3-oxopropyl)-3,7,13,18-tetramethyl-2-porphyrin-22-idylidene]-3-chloro-1-propen-1-olate IUPAC Name: copper (E,3Z)-3-[8,12-bis(3-methoxy-3-oxopropyl)-3,7,13,18-tetramethylporphyrin-22-id-2-ylidene]-3-chloroprop-1-en-1-olate Traditional Name: cupric (E,3Z)-3-[8,12-bis(3-keto-3-methoxy-propyl)-3,7,13,18-tetramethyl-porphin-22-id-2-ylidene]-3-chloro-prop-1-en-1-olate Formula: C35H33ClCuN4O5 MolecularWeight: 688.65932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC1=CC3=NC(=C(C3=C(C=C[O-])Cl)C)C=C4C(=C(C(=CC5=NC(=C2)C(=C5CCC(=O)OC)C)[N-]4)CCC(=O)OC)C.[Cu+2]

Isomeric SMILES

CC1=CC2=NC1=CC\3=NC(=C(/C3=C(\C=C\[O-])/Cl)C)C=C4C(=C(C(=CC5=NC(=C2)C(=C5CCC(=O)OC)C)[N-]4)CCC(=O)OC)C.[Cu+2]

InChI

InChI=1S/C35H34ClN4O5.Cu/c1-18-13-22-14-27-19(2)23(7-9-33(42)44-5)30(38-27)17-31-24(8-10-34(43)45-6)20(3)28(39-31)16-29-21(4)35(25(36)11-12-41)32(40-29)15-26(18)37-22;/h11-17H,7-10H2,1-6H3,(H-,37,38,39,40,41);/q-1;+2/p-1