[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl] ester IUPAC Name: [4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(10,15,20-triphenyl-23,24-dihydroporphin-5-yl)phenyl] ester Formula: C51H36N4O3S MolecularWeight: 784.92154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3=C4C=CC(=N4)C(=C5C=CC(=C(C6=CC=C(N6)C(=C7C=CC3=N7)C8=CC=CC=C8)C9=CC=CC=C9)N5)C1=CC=CC=C1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3=C4C=CC(=N4)C(=C5C=CC(=C(C6=CC=C(N6)C(=C7C=CC3=N7)C8=CC=CC=C8)C9=CC=CC=C9)N5)C1=CC=CC=C1

InChI

InChI=1S/C51H36N4O3S/c1-33-17-23-39(24-18-33)59(56,57)58-38-21-19-37(20-22-38)51-46-31-29-44(54-46)49(35-13-7-3-8-14-35)42-27-25-40(52-42)48(34-11-5-2-6-12-34)41-26-28-43(53-41)50(36-15-9-4-10-16-36)45-30-32-47(51)55-45/h2-32,52-53H,1H3