4,5,6,7-tetrakis[(4-nitrophenyl)sulfanyl]isoindole-1,3-dione

Systemtic Name: 4,5,6,7-tetrakis[(4-nitrophenyl)sulfanyl]isoindole-1,3-dione Openeye Name: 4,5,6,7-tetrakis[(4-nitrophenyl)sulfanyl]isoindoline-1,3-dione CAS Name: 4,5,6,7-tetrakis[(4-nitrophenyl)thio]isoindole-1,3-dione IUPAC Name: 4,5,6,7-tetrakis[(4-nitrophenyl)sulfanyl]isoindole-1,3-dione Traditional Name: 4,5,6,7-tetrakis[(4-nitrophenyl)thio]isoindoline-1,3-quinone Formula: C32H17N5O10S4 MolecularWeight: 759.76488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])SC2=C(C(=C(C3=C2C(=O)NC3=O)SC4=CC=C(C=C4)[N+](=O)[O-])SC5=CC=C(C=C5)[N+](=O)[O-])SC6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])SC2=C(C(=C(C3=C2C(=O)NC3=O)SC4=CC=C(C=C4)[N+](=O)[O-])SC5=CC=C(C=C5)[N+](=O)[O-])SC6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C32H17N5O10S4/c38-31-25-26(32(39)33-31)28(49-22-11-3-18(4-12-22)35(42)43)30(51-24-15-7-20(8-16-24)37(46)47)29(50-23-13-5-19(6-14-23)36(44)45)27(25)48-21-9-1-17(2-10-21)34(40)41/h1-16H,(H,33,38,39)