(4-methylphenyl)methanesulfonate; trinaphthalen-1-yl-(N,N,N'-trinaphthalen-1-ylcarbamimidoyl)azanium

Systemtic Name: (4-methylphenyl)methanesulfonate; trinaphthalen-1-yl-(N,N,N'-trinaphthalen-1-ylcarbamimidoyl)azanium Openeye Name: p-tolylmethanesulfonate; tris(1-naphthyl)-[N,N,N'-tris(1-naphthyl)carbamimidoyl]ammonium CAS Name: [[bis(1-naphthalenyl)amino]-(1-naphthalenylimino)methyl]-tris(1-naphthalenyl)ammonium; (4-methylphenyl)methanesulfonate IUPAC Name: (4-methylphenyl)methanesulfonate; trinaphthalen-1-yl-(N,N,N'-trinaphthalen-1-ylcarbamimidoyl)azanium Traditional Name: p-tolylmethanesulfonate; tris(1-naphthyl)-[N,N,N'-tris(1-naphthyl)amidino]ammonium Formula: C69H51N3O3S MolecularWeight: 1002.22654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC=C2N=C(N(C3=CC=CC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65)[N+](C7=CC=CC8=CC=CC=C87)(C9=CC=CC1=CC=CC=C19)C1=CC=CC2=CC=CC=C21

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC=C2N=C(N(C3=CC=CC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65)[N+](C7=CC=CC8=CC=CC=C87)(C9=CC=CC1=CC=CC=C19)C1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C61H42N3.C8H10O3S/c1-7-31-49-43(19-1)25-13-37-55(49)62-61(63(56-38-14-26-44-20-2-8-32-50(44)56)57-39-15-27-45-21-3-9-33-51(45)57)64(58-40-16-28-46-22-4-10-34-52(46)58,59-41-17-29-47-23-5-11-35-53(47)59)60-42-18-30-48-24-6-12-36-54(48)60;1-7-2-4-8(5-3-7)6-12(9,10)11/h1-42H;2-5H,6H2,1H3,(H,9,10,11)/q+1;/p-1