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

Systemtic Name: 1,4-bis(naphthalen-2-ylsulfonyl)-3,6-bis(4-nitrophenyl)-1,2,4,5-tetrazine Openeye Name: 1,4-bis(2-naphthylsulfonyl)-3,6-bis(4-nitrophenyl)-1,2,4,5-tetrazine CAS Name: 1,4-bis(2-naphthalenylsulfonyl)-3,6-bis(4-nitrophenyl)-1,2,4,5-tetrazine IUPAC Name: 1,4-bis(naphthalen-2-ylsulfonyl)-3,6-bis(4-nitrophenyl)-1,2,4,5-tetrazine Traditional Name: 1,4-bis(2-naphthylsulfonyl)-3,6-bis(4-nitrophenyl)-1,2,4,5-tetrazine Formula: C34H22N6O8S2 MolecularWeight: 706.70388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N3C(=NN(C(=N3)C4=CC=C(C=C4)[N+](=O)[O-])S(=O)(=O)C5=CC6=CC=CC=C6C=C5)C7=CC=C(C=C7)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N3C(=NN(C(=N3)C4=CC=C(C=C4)[N+](=O)[O-])S(=O)(=O)C5=CC6=CC=CC=C6C=C5)C7=CC=C(C=C7)[N+](=O)[O-]

InChI

InChI=1S/C34H22N6O8S2/c41-39(42)29-15-9-25(10-16-29)33-36-38(50(47,48)32-20-14-24-6-2-4-8-28(24)22-32)34(26-11-17-30(18-12-26)40(43)44)35-37(33)49(45,46)31-19-13-23-5-1-3-7-27(23)21-31/h1-22H