[3-nitro-4-[3-[2-nitro-4-(phenylcarbonyl)phenyl]sulfanylpropylsulfanyl]phenyl]-phenyl-methanone

Systemtic Name: [3-nitro-4-[3-[2-nitro-4-(phenylcarbonyl)phenyl]sulfanylpropylsulfanyl]phenyl]-phenyl-methanone Openeye Name: [4-[3-(4-benzoyl-2-nitro-phenyl)sulfanylpropylsulfanyl]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[3-[(4-benzoyl-2-nitrophenyl)thio]propylthio]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[3-(4-benzoyl-2-nitrophenyl)sulfanylpropylsulfanyl]-3-nitrophenyl]-phenylmethanone Traditional Name: [4-[3-[(4-benzoyl-2-nitro-phenyl)thio]propylthio]-3-nitro-phenyl]-phenyl-methanone Formula: C29H22N2O6S2 MolecularWeight: 558.62478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)SCCCSC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)SCCCSC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C29H22N2O6S2/c32-28(20-8-3-1-4-9-20)22-12-14-26(24(18-22)30(34)35)38-16-7-17-39-27-15-13-23(19-25(27)31(36)37)29(33)21-10-5-2-6-11-21/h1-6,8-15,18-19H,7,16-17H2