5-methyl-2-[10,15,20-tris(2-carboxy-4-methyl-phenyl)-21,24-dihydroporphyrin-5-yl]benzoic acid

Systemtic Name: 5-methyl-2-[10,15,20-tris(2-carboxy-4-methyl-phenyl)-21,24-dihydroporphyrin-5-yl]benzoic acid Openeye Name: 5-methyl-2-[10,15,20-tris(2-carboxy-4-methyl-phenyl)-21,24-dihydroporphyrin-5-yl]benzoic acid CAS Name: 5-methyl-2-[10,15,20-tris(2-carboxy-4-methylphenyl)-21,24-dihydroporphyrin-5-yl]benzoic acid IUPAC Name: 5-methyl-2-[10,15,20-tris(2-carboxy-4-methylphenyl)-21,24-dihydroporphyrin-5-yl]benzoic acid Traditional Name: 5-methyl-2-[10,15,20-tris(2-carboxy-4-methyl-phenyl)-21,24-dihydroporphin-5-yl]benzoic acid Formula: C52H38N4O8 MolecularWeight: 846.88012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C=C(C=C7)C)C(=O)O)C8=C(C=C(C=C8)C)C(=O)O)C9=C(C=C(C=C9)C)C(=O)O)N3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C=C(C=C7)C)C(=O)O)C8=C(C=C(C=C8)C)C(=O)O)C9=C(C=C(C=C9)C)C(=O)O)N3)C(=O)O

InChI

InChI=1S/C52H38N4O8/c1-25-5-9-29(33(21-25)49(57)58)45-37-13-15-39(53-37)46(30-10-6-26(2)22-34(30)50(59)60)41-17-19-43(55-41)48(32-12-8-28(4)24-36(32)52(63)64)44-20-18-42(56-44)47(40-16-14-38(45)54-40)31-11-7-27(3)23-35(31)51(61)62/h5-24,53-54H,1-4H3,(H,57,58)(H,59,60)(H,61,62)(H,63,64)