1,2-Bis(Ethoxycarbonyl)-19-Ethenyl-1,22a-Dihydro-8,14,18,22a-Tetramethyl-23H,25H-Benzo(b)Porphine-9,13-Dipropanoic Acid
[CAS# 113719-89-4]

Identification

• Name: 1,2-Bis(Ethoxycarbonyl)-19-Ethenyl-1,22a-Dihydro-8,14,18,22a-Tetramethyl-23H,25H-Benzo(b)Porphine-9,13-Dipropanoic Acid
• Synonyms: 23H,25H-Benzo(B)Porphine-9,13-Dipropanoic Acid, 1,2-Bis(Ethoxycarbonyl)-19-Ethenyl-1,22A-Dihydro-8,14,18,22A-Tetramethyl-; Benzoporphyrin D; Benzoporphyrin Derivative Monoacid Ring A
• Molecular Formula: C₄₂H₄₄N₄O₈
• Molecular Weight: 732.83
• CAS Registry Number: 113719-89-4
• SMILES: C(C2=C(C3=CC5=NC(=CC1=C(C(=C([NH]1)C=C4N=C(C=C2[NH]3)C(=C4C)CCC(=O)O)C)C=C)C6(C5=CC=C(C6C(OCC)=O)C(OCC)=O)C)C)CC(=O)O
• InChI: 1S/C42H44N4O8/c1-8-24-21(4)29-17-30-22(5)25(12-15-37(47)48)32(43-30)19-33-26(13-16-38(49)50)23(6)31(44-33)18-35-28-14-11-27(40(51)53-9-2)39(41(52)54-10-3)42(28,7)36(46-35)20-34(24)45-29/h8,11,14,17-20,39,44-45H,1,9-10,12-13,15-16H2,2-7H3,(H,47,48)(H,49,50)
• InChIKey: UYFSAPNRJIQXGN-UHFFFAOYSA-N