7-(4-chloranylbutyl)-3-methoxy-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate

Systemtic Name: 7-(4-chloranylbutyl)-3-methoxy-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate Openeye Name: 7-(4-chlorobutyl)-3-methoxy-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate CAS Name: 7-(4-chlorobutyl)-3-methoxy-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate IUPAC Name: 7-(4-chlorobutyl)-3-methoxy-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate Traditional Name: 7-(4-chlorobutyl)-3-methoxy-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate Formula: C22H22Cl2O6 MolecularWeight: 453.31248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=[O+]C4=CC=CC=C4C(=C3CC2)CCCCCl.[O-]Cl(=O)(=O)=O

Isomeric SMILES

COC1=CC2=C(C=C1)C3=[O+]C4=CC=CC=C4C(=C3CC2)CCCCCl.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C22H22ClO2.ClHO4/c1-24-16-10-12-17-15(14-16)9-11-20-18(6-4-5-13-23)19-7-2-3-8-21(19)25-22(17)20;2-1(3,4)5/h2-3,7-8,10,12,14H,4-6,9,11,13H2,1H3;(H,2,3,4,5)/q+1;/p-1