3,6-bis(4-methylphenyl)-1,4-bis(naphthalen-2-ylsulfonyl)-1,2,4,5-tetrazine

Systemtic Name: 3,6-bis(4-methylphenyl)-1,4-bis(naphthalen-2-ylsulfonyl)-1,2,4,5-tetrazine Openeye Name: 1,4-bis(2-naphthylsulfonyl)-3,6-bis(p-tolyl)-1,2,4,5-tetrazine CAS Name: 3,6-bis(4-methylphenyl)-1,4-bis(2-naphthalenylsulfonyl)-1,2,4,5-tetrazine IUPAC Name: 3,6-bis(4-methylphenyl)-1,4-bis(naphthalen-2-ylsulfonyl)-1,2,4,5-tetrazine Traditional Name: 1,4-bis(2-naphthylsulfonyl)-3,6-bis(p-tolyl)-1,2,4,5-tetrazine Formula: C36H28N4O4S2 MolecularWeight: 644.76192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=NN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C5=CC=C(C=C5)C)S(=O)(=O)C6=CC7=CC=CC=C7C=C6

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=NN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C5=CC=C(C=C5)C)S(=O)(=O)C6=CC7=CC=CC=C7C=C6

InChI

InChI=1S/C36H28N4O4S2/c1-25-11-15-29(16-12-25)35-37-40(46(43,44)34-22-20-28-8-4-6-10-32(28)24-34)36(30-17-13-26(2)14-18-30)38-39(35)45(41,42)33-21-19-27-7-3-5-9-31(27)23-33/h3-24H,1-2H3