3-bromanyl-4-(4-methoxyphenyl)-1-(4-nitrophenyl)-6,9-dithiaspiro[4.4]nona-1,3-diene

Systemtic Name: 3-bromanyl-4-(4-methoxyphenyl)-1-(4-nitrophenyl)-6,9-dithiaspiro[4.4]nona-1,3-diene Openeye Name: 3-bromo-4-(4-methoxyphenyl)-1-(4-nitrophenyl)-6,9-dithiaspiro[4.4]nona-1,3-diene CAS Name: 3-bromo-4-(4-methoxyphenyl)-1-(4-nitrophenyl)-6,9-dithiaspiro[4.4]nona-1,3-diene IUPAC Name: 3-bromo-4-(4-methoxyphenyl)-1-(4-nitrophenyl)-6,9-dithiaspiro[4.4]nona-1,3-diene Traditional Name: 3-bromo-4-(4-methoxyphenyl)-1-(4-nitrophenyl)-6,9-dithiaspiro[4.4]nona-1,3-diene Formula: C20H16BrNO3S2 MolecularWeight: 462.37994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=C(C23SCCS3)C4=CC=C(C=C4)[N+](=O)[O-])Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=C(C23SCCS3)C4=CC=C(C=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C20H16BrNO3S2/c1-25-16-8-4-14(5-9-16)19-18(21)12-17(20(19)26-10-11-27-20)13-2-6-15(7-3-13)22(23)24/h2-9,12H,10-11H2,1H3