zinc methyl 3-[18-(3-methoxy-3-oxidanylidene-propyl)-3,7,12,17-tetramethyl-8,13-bis(oxiran-2-ylmethyl)porphyrin-22,23-diid-2-yl]propanoate

Systemtic Name: zinc methyl 3-[18-(3-methoxy-3-oxidanylidene-propyl)-3,7,12,17-tetramethyl-8,13-bis(oxiran-2-ylmethyl)porphyrin-22,23-diid-2-yl]propanoate Openeye Name: zinc methyl 3-[18-(3-methoxy-3-oxo-propyl)-3,7,12,17-tetramethyl-8,13-bis(oxiran-2-ylmethyl)porphyrin-22,23-diid-2-yl]propanoate CAS Name: zinc 3-[18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-8,13-bis(2-oxiranylmethyl)-2-porphyrin-22,23-diidyl]propanoic acid methyl ester IUPAC Name: zinc methyl 3-[18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-8,13-bis(oxiran-2-ylmethyl)porphyrin-22,23-diid-2-yl]propanoate Traditional Name: zinc 3-[8,13-diglycidyl-18-(3-keto-3-methoxy-propyl)-3,7,12,17-tetramethyl-porphine-22,23-diid-2-yl]propionic acid methyl ester Formula: C38H40N4O6Zn MolecularWeight: 714.1564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C([N-]5)C=C1[N-]2)CC6CO6)C)C(=C4CCC(=O)OC)C)C(=C3C)CCC(=O)OC)CC7CO7.[Zn+2]

Isomeric SMILES

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C([N-]5)C=C1[N-]2)CC6CO6)C)C(=C4CCC(=O)OC)C)C(=C3C)CCC(=O)OC)CC7CO7.[Zn+2]

InChI

InChI=1S/C38H40N4O6.Zn/c1-19-25(7-9-37(43)45-5)33-16-34-26(8-10-38(44)46-6)20(2)31(40-34)14-35-28(12-24-18-48-24)22(4)32(42-35)15-36-27(11-23-17-47-23)21(3)30(41-36)13-29(19)39-33;/h13-16,23-24H,7-12,17-18H2,1-6H3;/q-2;+2