10-[(5S,6S)-6-phenoxathiin-10-ium-10-yldecan-5-yl]phenoxathiin-10-ium

Systemtic Name: 10-[(5S,6S)-6-phenoxathiin-10-ium-10-yldecan-5-yl]phenoxathiin-10-ium Openeye Name: 10-[(1S,2S)-1-butyl-2-phenoxathiin-10-ium-10-yl-hexyl]phenoxathiin-10-ium CAS Name: 10-[(5S,6S)-6-(10-phenoxathiin-10-iumyl)decan-5-yl]phenoxathiin-10-ium IUPAC Name: 10-[(5S,6S)-6-phenoxathiin-10-ium-10-yldecan-5-yl]phenoxathiin-10-ium Traditional Name: 10-[(1S,2S)-1-butyl-2-phenoxathiin-10-ium-10-yl-hexyl]phenoxathiin-10-ium Formula: C34H36O2S2+2 MolecularWeight: 540.77844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H36O2S2/c1-3-5-19-33(37-29-21-11-7-15-25(29)35-26-16-8-12-22-30(26)37)34(20-6-4-2)38-31-23-13-9-17-27(31)36-28-18-10-14-24-32(28)38/h7-18,21-24,33-34H,3-6,19-20H2,1-2H3/q+2/t33-,34-/m0/s1