4-(thiepan-1-ium-1-yl)phenol perchlorate

Systemtic Name: 4-(thiepan-1-ium-1-yl)phenol perchlorate Openeye Name: 4-(thiepan-1-ium-1-yl)phenol perchlorate CAS Name: 4-(1-thiepan-1-iumyl)phenol perchlorate IUPAC Name: 4-(thiepan-1-ium-1-yl)phenol perchlorate Traditional Name: 4-(thiepan-1-ium-1-yl)phenol perchlorate Formula: C12H17ClO5S MolecularWeight: 308.77838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[S+](CC1)C2=CC=C(C=C2)O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1CCC[S+](CC1)C2=CC=C(C=C2)O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C12H16OS.ClHO4/c13-11-5-7-12(8-6-11)14-9-3-1-2-4-10-14;2-1(3,4)5/h5-8H,1-4,9-10H2;(H,2,3,4,5)