[10,20-dihexyl-15-[oxidanyl(phenyl)methyl]-21,24-dihydroporphyrin-5-yl]-phenyl-methanol

Systemtic Name: [10,20-dihexyl-15-[oxidanyl(phenyl)methyl]-21,24-dihydroporphyrin-5-yl]-phenyl-methanol Openeye Name: [10,20-dihexyl-15-[hydroxy(phenyl)methyl]-21,24-dihydroporphyrin-5-yl]-phenyl-methanol CAS Name: [10,20-dihexyl-15-[hydroxy(phenyl)methyl]-21,24-dihydroporphyrin-5-yl]-phenylmethanol IUPAC Name: [10,20-dihexyl-15-[hydroxy(phenyl)methyl]-21,24-dihydroporphyrin-5-yl]-phenylmethanol Traditional Name: [10,20-dihexyl-15-[hydroxy(phenyl)methyl]-21,24-dihydroporphin-5-yl]-phenyl-methanol Formula: C46H50N4O2 MolecularWeight: 690.9148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1N5)C(C6=CC=CC=C6)O)C=C4)CCCCCC)C=C3)C(C7=CC=CC=C7)O)N2

Isomeric SMILES

CCCCCCC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1N5)C(C6=CC=CC=C6)O)C=C4)CCCCCC)C=C3)C(C7=CC=CC=C7)O)N2

InChI

InChI=1S/C46H50N4O2/c1-3-5-7-15-21-33-35-23-27-39(47-35)43(45(51)31-17-11-9-12-18-31)41-29-25-37(49-41)34(22-16-8-6-4-2)38-26-30-42(50-38)44(40-28-24-36(33)48-40)46(52)32-19-13-10-14-20-32/h9-14,17-20,23-30,45-48,51-52H,3-8,15-16,21-22H2,1-2H3