zinc (E)-[7-ethyl-12-(hydroxymethyl)-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-porphyrin-23-id-2-ylidene]methanolate

Systemtic Name: zinc (E)-[7-ethyl-12-(hydroxymethyl)-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-porphyrin-23-id-2-ylidene]methanolate Openeye Name: zinc (E)-[7-ethyl-12-(hydroxymethyl)-18-(3-methoxy-3-oxo-propyl)-3,8,13,17-tetramethyl-porphyrin-23-id-2-ylidene]methanolate CAS Name: zinc (E)-[7-ethyl-12-(hydroxymethyl)-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-2-porphyrin-23-idylidene]methanolate IUPAC Name: zinc (E)-[7-ethyl-12-(hydroxymethyl)-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethylporphyrin-23-id-2-ylidene]methanolate Traditional Name: zinc (E)-[7-ethyl-18-(3-keto-3-methoxy-propyl)-3,8,13,17-tetramethyl-12-methylol-porphin-23-id-2-ylidene]methanolate Formula: C32H32N4O4Zn MolecularWeight: 602.02988

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC1=CC3=C(C(=C[O-])C(=N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=C2)[N-]5)CO)C)C)CCC(=O)OC)C)C.[Zn+2]

Isomeric SMILES

CCC1=C(C2=NC1=CC3=C(/C(=C\[O-])/C(=N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=C2)[N-]5)CO)C)C)CCC(=O)OC)C)C.[Zn+2]

InChI

InChI=1S/C32H33N4O4.Zn/c1-7-20-16(2)26-12-30-22(14-37)18(4)25(35-30)10-24-17(3)21(8-9-32(39)40-6)29(34-24)13-31-23(15-38)19(5)27(36-31)11-28(20)33-26;/h10-13,15,37H,7-9,14H2,1-6H3,(H-,33,34,35,36,38);/q-1;+2/p-1