10-[(1E,5Z)-cycloocta-1,5-dien-1-yl]phenoxathiin-10-ium perchlorate

Systemtic Name: 10-[(1E,5Z)-cycloocta-1,5-dien-1-yl]phenoxathiin-10-ium perchlorate Openeye Name: 10-[(1E,5Z)-cycloocta-1,5-dien-1-yl]phenoxathiin-10-ium perchlorate CAS Name: 10-[(1E,5Z)-1-cycloocta-1,5-dienyl]phenoxathiin-10-ium perchlorate IUPAC Name: 10-[(1E,5Z)-cycloocta-1,5-dien-1-yl]phenoxathiin-10-ium perchlorate Traditional Name: 10-[(1E,5Z)-cycloocta-1,5-dien-1-yl]phenoxathiin-10-ium perchlorate Formula: C20H19ClO5S MolecularWeight: 406.87986

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(CCC=C1)[S+]2C3=CC=CC=C3OC4=CC=CC=C42.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C/1C/C=C(\CC/C=C1)/[S+]2C3=CC=CC=C3OC4=CC=CC=C42.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H19OS.ClHO4/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;2-1(3,4)5/h1-2,6-9,11-15H,3-5,10H2;(H,2,3,4,5)/q+1;/p-1/b2-1-,16-11+;