zinc 3-[18-(2-carboxyethyl)-7-ethenyl-12-ethyl-3,8,13,17-tetramethyl-23-oxidanylidene-21H-porphyrin-23-ium-22,24-diid-2-yl]propanoic acid

Systemtic Name: zinc 3-[18-(2-carboxyethyl)-7-ethenyl-12-ethyl-3,8,13,17-tetramethyl-23-oxidanylidene-21H-porphyrin-23-ium-22,24-diid-2-yl]propanoic acid Openeye Name: zinc 3-[18-(2-carboxyethyl)-12-ethyl-3,8,13,17-tetramethyl-23-oxo-7-vinyl-21H-porphyrin-23-ium-22,24-diid-2-yl]propanoic acid CAS Name: zinc 3-[18-(2-carboxyethyl)-7-ethenyl-12-ethyl-3,8,13,17-tetramethyl-23-oxo-21H-porphyrin-23-ium-22,24-diid-2-yl]propanoic acid IUPAC Name: zinc 3-[18-(2-carboxyethyl)-7-ethenyl-12-ethyl-3,8,13,17-tetramethyl-23-oxo-21H-porphyrin-23-ium-22,24-diid-2-yl]propanoic acid Traditional Name: zinc 3-[18-(2-carboxyethyl)-12-ethyl-23-keto-3,8,13,17-tetramethyl-7-vinyl-21H-porphin-23-ium-22,24-diid-2-yl]propionic acid Formula: C34H35N4O5Zn+ MolecularWeight: 645.0745

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=CC5=C(C(=C([N-]5)C=C1[N+]2=O)C)C=C)N4)C)CCC(=O)O)CCC(=O)O)C)C.[Zn+2]

Isomeric SMILES

CCC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=CC5=C(C(=C([N-]5)C=C1[N+]2=O)C)C=C)N4)C)CCC(=O)O)CCC(=O)O)C)C.[Zn+2]

InChI

InChI=1S/C34H35N4O5.Zn/c1-7-21-17(3)27-16-32-22(8-2)20(6)31(38(32)43)15-26-19(5)24(10-12-34(41)42)30(37-26)14-29-23(9-11-33(39)40)18(4)25(35-29)13-28(21)36-27;/h7,13-16H,1,8-12H2,2-6H3,(H3-2,35,36,37,39,40,41,42,43);/q-1;+2