2-[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-phenyl-1H-imidazol-4-yl]thianthrene 5,5,10,10-tetraoxide

Systemtic Name: 2-[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-phenyl-1H-imidazol-4-yl]thianthrene 5,5,10,10-tetraoxide Openeye Name: 2-[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-phenyl-1H-imidazol-4-yl]thianthrene 5,5,10,10-tetraoxide CAS Name: 2-[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-phenyl-1H-imidazol-4-yl]thianthrene 5,5,10,10-tetraoxide IUPAC Name: 2-[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-phenyl-1H-imidazol-4-yl]thianthrene 5,5,10,10-tetraoxide Traditional Name: 2-[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-phenyl-1H-imidazol-4-yl]thianthrene 5,5,10,10-tetraoxide Formula: C29H20N2O7S2 MolecularWeight: 572.6083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C3=NC(=C(N3)C4=CC=CC=C4)C5=CC6=C(C=C5)S(=O)(=O)C7=CC=CC=C7S6(=O)=O

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C3=NC(=C(N3)C4=CC=CC=C4)C5=CC6=C(C=C5)S(=O)(=O)C7=CC=CC=C7S6(=O)=O

InChI

InChI=1S/C29H20N2O7S2/c1-36-20-13-19(14-21-28(20)38-16-37-21)29-30-26(17-7-3-2-4-8-17)27(31-29)18-11-12-24-25(15-18)40(34,35)23-10-6-5-9-22(23)39(24,32)33/h2-15H,16H2,1H3,(H,30,31)