1-[(E)-3-(4-prop-2-enylidenecyclohexa-2,5-dien-1-ylidene)prop-1-enyl]thiolan-1-ium bromide

Systemtic Name: 1-[(E)-3-(4-prop-2-enylidenecyclohexa-2,5-dien-1-ylidene)prop-1-enyl]thiolan-1-ium bromide Openeye Name: 1-[(E)-3-(4-allylidenecyclohexa-2,5-dien-1-ylidene)prop-1-enyl]tetrahydrothiophen-1-ium bromide CAS Name: 1-[(E)-3-(4-prop-2-enylidene-1-cyclohexa-2,5-dienylidene)prop-1-enyl]thiolan-1-ium bromide IUPAC Name: 1-[(E)-3-(4-prop-2-enylidenecyclohexa-2,5-dien-1-ylidene)prop-1-enyl]thiolan-1-ium bromide Traditional Name: 1-[(E)-3-(4-allylidenecyclohexa-2,5-dien-1-ylidene)prop-1-enyl]tetrahydrothiophen-1-ium bromide Formula: C16H19BrS MolecularWeight: 323.29106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC=C1C=CC(=CC=C[S+]2CCCC2)C=C1.[Br-]

Isomeric SMILES

C=CC=C1C=CC(=C/C=C/[S+]2CCCC2)C=C1.[Br-]

InChI

InChI=1S/C16H19S.BrH/c1-2-6-15-8-10-16(11-9-15)7-5-14-17-12-3-4-13-17;/h2,5-11,14H,1,3-4,12-13H2;1H/q+1;/p-1/b14-5+,15-6?,16-7?;