3-[18-(2-carboxyethyl)-7,12-bis(ethenyl)-3,8,13,17-tetramethyl-21-phenyl-23H-porphyrin-2-yl]propanoic acid

Systemtic Name: 3-[18-(2-carboxyethyl)-7,12-bis(ethenyl)-3,8,13,17-tetramethyl-21-phenyl-23H-porphyrin-2-yl]propanoic acid Openeye Name: 3-[18-(2-carboxyethyl)-3,8,13,17-tetramethyl-21-phenyl-7,12-divinyl-23H-porphyrin-2-yl]propanoic acid CAS Name: 3-[18-(2-carboxyethyl)-7,12-bis(ethenyl)-3,8,13,17-tetramethyl-21-phenyl-23H-porphyrin-2-yl]propanoic acid IUPAC Name: 3-[18-(2-carboxyethyl)-7,12-bis(ethenyl)-3,8,13,17-tetramethyl-21-phenyl-23H-porphyrin-2-yl]propanoic acid Traditional Name: 3-[18-(2-carboxyethyl)-3,8,13,17-tetramethyl-21-phenyl-7,12-divinyl-23H-porphin-2-yl]propionic acid Formula: C40H38N4O4 MolecularWeight: 638.75412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=NC(=CC4=C(C(=C(N4C5=CC=CC=C5)C=C6C(=C(C(=N6)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)C(=C3C)C=C)C=C

Isomeric SMILES

CC1=C(C2=CC3=NC(=CC4=C(C(=C(N4C5=CC=CC=C5)C=C6C(=C(C(=N6)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)C(=C3C)C=C)C=C

InChI

InChI=1S/C40H38N4O4/c1-7-27-22(3)31-18-32-24(5)29(14-16-39(45)46)36(43-32)21-38-30(15-17-40(47)48)25(6)37(44(38)26-12-10-9-11-13-26)20-35-28(8-2)23(4)33(42-35)19-34(27)41-31/h7-13,18-21,41H,1-2,14-17H2,3-6H3,(H,45,46)(H,47,48)