N-4-Nitrobenzyl-5-(4-Carboxyphenyl)-10,15,20-Tris(4-Sulfophenyl)Porphine
[CAS# 125295-40-1]

Identification

• Name: N-4-Nitrobenzyl-5-(4-Carboxyphenyl)-10,15,20-Tris(4-Sulfophenyl)Porphine
• Synonyms: Benzoic Acid, 4-(23-((4-Nitrophenyl)Methyl)-10,15,20-Tris(4-Sulfophenyl)-21H,23H-Porphin-5-Yl)-; N-4-Nitrobenzyl-5-(4-Carboxyphenyl)-10,15,20-Tris(4-Sulfophenyl)Porphine
• Molecular Formula: C₅₂H₃₅N₅O₁₃S₃
• Molecular Weight: 1034.05
• CAS Registry Number: 125295-40-1
• SMILES: [N]2(C3=C(C8=NC(=C(C1=CC=C([NH]1)C(=C5N=C(C(=C2C=C3)C4=CC=C([S](=O)(=O)O)C=C4)C=C5)C6=CC=C(C=C6)C(=O)O)C7=CC=C([S](=O)(=O)O)C=C7)C=C8)C9=CC=C([S](=O)(=O)O)C=C9)CC%10=CC=C([N+]([O-])=O)C=C%10
• InChI: 1S/C52H35N5O13S3/c58-52(59)35-5-3-31(4-6-35)48-40-21-22-41(53-40)49(32-7-15-37(16-8-32)71(62,63)64)43-24-26-45(55-43)51(34-11-19-39(20-12-34)73(68,69)70)47-28-27-46(56(47)29-30-1-13-36(14-2-30)57(60)61)50(44-25-23-42(48)54-44)33-9-17-38(18-10-33)72(65,66)67/h1-28,53H,29H2,(H,58,59)(H,62,63,64)(H,65,66,67)(H,68,69,70)
• InChIKey: MRGVHHUEFCTLKB-UHFFFAOYSA-N

Properties

• Density: 1.571g/cm³ (Cal.)