4-[4-[4-(3-ethynylphenoxy)phenyl]sulfonylphenoxy]-1,2-dinitro-benzene

Systemtic Name: 4-[4-[4-(3-ethynylphenoxy)phenyl]sulfonylphenoxy]-1,2-dinitro-benzene Openeye Name: 4-[4-[4-(3-ethynylphenoxy)phenyl]sulfonylphenoxy]-1,2-dinitro-benzene CAS Name: 4-[4-[4-(3-ethynylphenoxy)phenyl]sulfonylphenoxy]-1,2-dinitrobenzene IUPAC Name: 4-[4-[4-(3-ethynylphenoxy)phenyl]sulfonylphenoxy]-1,2-dinitrobenzene Traditional Name: 4-[4-[4-(3-ethynylphenoxy)phenyl]sulfonylphenoxy]-1,2-dinitro-benzene Formula: C26H16N2O8S MolecularWeight: 516.47884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)OC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OC4=CC(=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C#CC1=CC(=CC=C1)OC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OC4=CC(=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H16N2O8S/c1-2-18-4-3-5-21(16-18)35-19-6-11-23(12-7-19)37(33,34)24-13-8-20(9-14-24)36-22-10-15-25(27(29)30)26(17-22)28(31)32/h1,3-17H