2-[10,15-bis(2-carboxyphenyl)-20-phenyl-21,24-dihydroporphyrin-5-yl]benzoic acid

Systemtic Name: 2-[10,15-bis(2-carboxyphenyl)-20-phenyl-21,24-dihydroporphyrin-5-yl]benzoic acid Openeye Name: 2-[10,15-bis(2-carboxyphenyl)-20-phenyl-21,24-dihydroporphyrin-5-yl]benzoic acid CAS Name: 2-[10,15-bis(2-carboxyphenyl)-20-phenyl-21,24-dihydroporphyrin-5-yl]benzoic acid IUPAC Name: 2-[10,15-bis(2-carboxyphenyl)-20-phenyl-21,24-dihydroporphyrin-5-yl]benzoic acid Traditional Name: 2-[10,15-bis(2-carboxyphenyl)-20-phenyl-21,24-dihydroporphin-5-yl]benzoic acid Formula: C47H30N4O6 MolecularWeight: 746.7643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7C(=O)O)C=C5)C8=CC=CC=C8C(=O)O)C=C4)C9=CC=CC=C9C(=O)O)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7C(=O)O)C=C5)C8=CC=CC=C8C(=O)O)C=C4)C9=CC=CC=C9C(=O)O)N3

InChI

InChI=1S/C47H30N4O6/c52-45(53)30-15-7-4-12-27(30)42-35-20-18-33(48-35)41(26-10-2-1-3-11-26)34-19-21-36(49-34)43(28-13-5-8-16-31(28)46(54)55)38-23-25-40(51-38)44(39-24-22-37(42)50-39)29-14-6-9-17-32(29)47(56)57/h1-25,48-49H,(H,52,53)(H,54,55)(H,56,57)