zinc ethyl 3-[3-(3-ethoxy-3-oxidanylidene-propyl)-7,8,17,18-tetraethyl-porphyrin-21,24-diid-2-yl]propanoate

Systemtic Name: zinc ethyl 3-[3-(3-ethoxy-3-oxidanylidene-propyl)-7,8,17,18-tetraethyl-porphyrin-21,24-diid-2-yl]propanoate Openeye Name: zinc ethyl 3-[3-(3-ethoxy-3-oxo-propyl)-7,8,17,18-tetraethyl-porphyrin-21,24-diid-2-yl]propanoate CAS Name: zinc 3-[3-(3-ethoxy-3-oxopropyl)-7,8,17,18-tetraethyl-2-porphyrin-21,24-diidyl]propanoic acid ethyl ester IUPAC Name: zinc ethyl 3-[3-(3-ethoxy-3-oxopropyl)-7,8,17,18-tetraethylporphyrin-21,24-diid-2-yl]propanoate Traditional Name: zinc 3-[3-(3-ethoxy-3-keto-propyl)-7,8,17,18-tetraethyl-porphine-21,24-diid-2-yl]propionic acid ethyl ester Formula: C38H44N4O4Zn MolecularWeight: 686.18936

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C1[N-]2)CC)CC)CCC(=O)OCC)CCC(=O)OCC)CC.[Zn+2]

Isomeric SMILES

CCC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C1[N-]2)CC)CC)CCC(=O)OCC)CCC(=O)OCC)CC.[Zn+2]

InChI

InChI=1S/C38H44N4O4.Zn/c1-7-25-27(9-3)33-21-35-29(15-17-37(43)45-11-5)30(16-18-38(44)46-12-6)36(42-35)22-34-28(10-4)26(8-2)32(41-34)20-24-14-13-23(39-24)19-31(25)40-33;/h13-14,19-22H,7-12,15-18H2,1-6H3;/q-2;+2