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

Systemtic Name: 3,6-bis(4-methoxyphenyl)-1,4-bis(naphthalen-2-ylsulfonyl)-1,2,4,5-tetrazine Openeye Name: 3,6-bis(4-methoxyphenyl)-1,4-bis(2-naphthylsulfonyl)-1,2,4,5-tetrazine CAS Name: 3,6-bis(4-methoxyphenyl)-1,4-bis(2-naphthalenylsulfonyl)-1,2,4,5-tetrazine IUPAC Name: 3,6-bis(4-methoxyphenyl)-1,4-bis(naphthalen-2-ylsulfonyl)-1,2,4,5-tetrazine Traditional Name: 3,6-bis(4-methoxyphenyl)-1,4-bis(2-naphthylsulfonyl)-1,2,4,5-tetrazine Formula: C36H28N4O6S2 MolecularWeight: 676.76072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=NN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C5=CC=C(C=C5)OC)S(=O)(=O)C6=CC7=CC=CC=C7C=C6

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=NN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C5=CC=C(C=C5)OC)S(=O)(=O)C6=CC7=CC=CC=C7C=C6

InChI

InChI=1S/C36H28N4O6S2/c1-45-31-17-11-27(12-18-31)35-37-40(48(43,44)34-22-16-26-8-4-6-10-30(26)24-34)36(28-13-19-32(46-2)20-14-28)38-39(35)47(41,42)33-21-15-25-7-3-5-9-29(25)23-33/h3-24H,1-2H3