5-methyl-2-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)benzoic acid

Systemtic Name: 5-methyl-2-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)benzoic acid Openeye Name: 5-methyl-2-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)benzoic acid CAS Name: 5-methyl-2-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)benzoic acid IUPAC Name: 5-methyl-2-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)benzoic acid Traditional Name: 5-methyl-2-(10,15,20-triphenyl-23,24-dihydroporphin-5-yl)benzoic acid Formula: C46H32N4O2 MolecularWeight: 672.77188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)N4)C9=CC=CC=C9)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)N4)C9=CC=CC=C9)C(=O)O

InChI

InChI=1S/C46H32N4O2/c1-28-17-18-32(33(27-28)46(51)52)45-40-25-23-38(49-40)43(30-13-7-3-8-14-30)36-21-19-34(47-36)42(29-11-5-2-6-12-29)35-20-22-37(48-35)44(31-15-9-4-10-16-31)39-24-26-41(45)50-39/h2-27,47-48H,1H3,(H,51,52)