5-methyl-1-[(2R,4S,5R)-4-oxidanyl-5-[[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenoxy]methyl]oxolan-2-yl]pyrimidine-2,4-dione

Systemtic Name: 5-methyl-1-[(2R,4S,5R)-4-oxidanyl-5-[[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenoxy]methyl]oxolan-2-yl]pyrimidine-2,4-dione Openeye Name: 1-[(2R,4S,5R)-4-hydroxy-5-[[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenoxy]methyl]tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione CAS Name: 1-[(2R,4S,5R)-4-hydroxy-5-[[4-[10,15,20-tris(1-methyl-4-pyridin-1-iumyl)-21,22-dihydroporphyrin-5-yl]phenoxy]methyl]-2-oxolanyl]-5-methylpyrimidine-2,4-dione IUPAC Name: 1-[(2R,4S,5R)-4-hydroxy-5-[[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione Traditional Name: 1-[(2R,4S,5R)-4-hydroxy-5-[[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphin-5-yl]phenoxy]methyl]tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone Formula: C54H48N9O5+3 MolecularWeight: 903.01622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC3=CC=C(C=C3)C4=C5C=CC(=C(C6=NC(=C(C7=NC(=C(C8=CC=C4N8)C9=CC=[N+](C=C9)C)C=C7)C1=CC=[N+](C=C1)C)C=C6)C1=CC=[N+](C=C1)C)N5)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC3=CC=C(C=C3)C4=C5C=CC(=C(C6=NC(=C(C7=NC(=C(C8=CC=C4N8)C9=CC=[N+](C=C9)C)C=C7)C1=CC=[N+](C=C1)C)C=C6)C1=CC=[N+](C=C1)C)N5)O

InChI

InChI=1S/C54H46N9O5/c1-32-30-63(54(66)59-53(32)65)48-29-46(64)47(68-48)31-67-37-7-5-33(6-8-37)49-38-9-11-40(55-38)50(34-17-23-60(2)24-18-34)42-13-15-44(57-42)52(36-21-27-62(4)28-22-36)45-16-14-43(58-45)51(41-12-10-39(49)56-41)35-19-25-61(3)26-20-35/h5-28,30,46-48,64H,29,31H2,1-4H3,(H-,55,56,57,58,59,65,66)/q+1/p+2/t46-,47+,48+/m0/s1