1,3-dimethyl-5,6,7,8-tetrahydroisochromen-2-ium perchlorate

Systemtic Name: 1,3-dimethyl-5,6,7,8-tetrahydroisochromen-2-ium perchlorate Openeye Name: 1,3-dimethyl-5,6,7,8-tetrahydroisochromen-2-ium perchlorate CAS Name: 1,3-dimethyl-5,6,7,8-tetrahydro-2-benzopyran-2-ium perchlorate IUPAC Name: 1,3-dimethyl-5,6,7,8-tetrahydroisochromen-2-ium perchlorate Traditional Name: 1,3-dimethyl-5,6,7,8-tetrahydroisochromen-2-ium perchlorate Formula: C11H15ClO5 MolecularWeight: 262.6868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[O+]C(=C2CCCCC2=C1)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=[O+]C(=C2CCCCC2=C1)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C11H15O.ClHO4/c1-8-7-10-5-3-4-6-11(10)9(2)12-8;2-1(3,4)5/h7H,3-6H2,1-2H3;(H,2,3,4,5)/q+1;/p-1