2-[10-(2-carboxyphenyl)-15,20-diphenyl-23,24-dihydroporphyrin-5-yl]benzoic acid

Systemtic Name: 2-[10-(2-carboxyphenyl)-15,20-diphenyl-23,24-dihydroporphyrin-5-yl]benzoic acid Openeye Name: 2-[10-(2-carboxyphenyl)-15,20-diphenyl-23,24-dihydroporphyrin-5-yl]benzoic acid CAS Name: 2-[10-(2-carboxyphenyl)-15,20-diphenyl-23,24-dihydroporphyrin-5-yl]benzoic acid IUPAC Name: 2-[10-(2-carboxyphenyl)-15,20-diphenyl-23,24-dihydroporphyrin-5-yl]benzoic acid Traditional Name: 2-[10-(2-carboxyphenyl)-15,20-diphenyl-23,24-dihydroporphin-5-yl]benzoic acid Formula: C46H30N4O4 MolecularWeight: 702.7548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7C(=O)O)C8=CC=CC=C8C(=O)O)C9=CC=CC=C9)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7C(=O)O)C8=CC=CC=C8C(=O)O)C9=CC=CC=C9)N3

InChI

InChI=1S/C46H30N4O4/c51-45(52)31-17-9-7-15-29(31)43-37-23-21-35(48-37)41(27-11-3-1-4-12-27)33-19-20-34(47-33)42(28-13-5-2-6-14-28)36-22-24-38(49-36)44(40-26-25-39(43)50-40)30-16-8-10-18-32(30)46(53)54/h1-26,47-48H,(H,51,52)(H,53,54)