10-[(E)-1-phenoxathiin-10-ium-10-ylpent-1-en-2-yl]phenoxathiin-10-ium

Systemtic Name: 10-[(E)-1-phenoxathiin-10-ium-10-ylpent-1-en-2-yl]phenoxathiin-10-ium Openeye Name: 10-[(1E)-1-(phenoxathiin-10-ium-10-ylmethylene)butyl]phenoxathiin-10-ium CAS Name: 10-[(E)-1-(10-phenoxathiin-10-iumyl)pent-1-en-2-yl]phenoxathiin-10-ium IUPAC Name: 10-[(E)-1-phenoxathiin-10-ium-10-ylpent-1-en-2-yl]phenoxathiin-10-ium Traditional Name: 10-[(E)-2-phenoxathiin-10-ium-10-ylpent-1-enyl]phenoxathiin-10-ium Formula: C29H24O2S2+2 MolecularWeight: 468.62966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C[S+]1C2=CC=CC=C2OC3=CC=CC=C31)[S+]4C5=CC=CC=C5OC6=CC=CC=C64

Isomeric SMILES

CCC/C(=C\[S+]1C2=CC=CC=C2OC3=CC=CC=C31)/[S+]4C5=CC=CC=C5OC6=CC=CC=C64

InChI

InChI=1S/C29H24O2S2/c1-2-11-21(33-28-18-9-5-14-24(28)31-25-15-6-10-19-29(25)33)20-32-26-16-7-3-12-22(26)30-23-13-4-8-17-27(23)32/h3-10,12-20H,2,11H2,1H3/q+2/b21-20+