3-[18-(2-carboxyethyl)-8,13-bis(iodanyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid

Systemtic Name: 3-[18-(2-carboxyethyl)-8,13-bis(iodanyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid Openeye Name: 3-[18-(2-carboxyethyl)-8,13-diiodo-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid CAS Name: 3-[18-(2-carboxyethyl)-8,13-diiodo-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid IUPAC Name: 3-[18-(2-carboxyethyl)-8,13-diiodo-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid Traditional Name: 3-[18-(2-carboxyethyl)-8,13-diiodo-3,7,12,17-tetramethyl-22,23-dihydroporphin-2-yl]propionic acid Formula: C30H28I2N4O4 MolecularWeight: 762.37666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)I)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)I

Isomeric SMILES

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)I)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)I

InChI

InChI=1S/C30H28I2N4O4/c1-13-17(5-7-27(37)38)23-12-24-18(6-8-28(39)40)14(2)20(34-24)10-25-30(32)16(4)22(36-25)11-26-29(31)15(3)21(35-26)9-19(13)33-23/h9-12,35-36H,5-8H2,1-4H3,(H,37,38)(H,39,40)