5-[(1E,5Z)-cycloocta-1,5-dien-1-yl]thianthren-5-ium

Systemtic Name: 5-[(1E,5Z)-cycloocta-1,5-dien-1-yl]thianthren-5-ium Openeye Name: 5-[(1E,5Z)-cycloocta-1,5-dien-1-yl]thianthren-5-ium CAS Name: 5-[(1E,5Z)-1-cycloocta-1,5-dienyl]thianthren-5-ium IUPAC Name: 5-[(1E,5Z)-cycloocta-1,5-dien-1-yl]thianthren-5-ium Traditional Name: 5-[(1E,5Z)-cycloocta-1,5-dien-1-yl]thianthren-5-ium Formula: C20H19S2+ MolecularWeight: 323.49486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(CCC=C1)[S+]2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

C/1C/C=C(\CC/C=C1)/[S+]2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C20H19S2/c1-2-4-10-16(11-5-3-1)22-19-14-8-6-12-17(19)21-18-13-7-9-15-20(18)22/h1-2,6-9,11-15H,3-5,10H2/q+1/b2-1-,16-11+