3-methoxy-7-phenethyl-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate

Systemtic Name: 3-methoxy-7-phenethyl-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate Openeye Name: 3-methoxy-7-phenethyl-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate CAS Name: 3-methoxy-7-phenethyl-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate IUPAC Name: 3-methoxy-7-phenethyl-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate Traditional Name: 3-methoxy-7-phenethyl-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate Formula: C26H23ClO6 MolecularWeight: 466.91022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=[O+]C4=CC=CC=C4C(=C3CC2)CCC5=CC=CC=C5.[O-]Cl(=O)(=O)=O

Isomeric SMILES

COC1=CC2=C(C=C1)C3=[O+]C4=CC=CC=C4C(=C3CC2)CCC5=CC=CC=C5.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C26H23O2.ClHO4/c1-27-20-13-16-21-19(17-20)12-15-24-22(14-11-18-7-3-2-4-8-18)23-9-5-6-10-25(23)28-26(21)24;2-1(3,4)5/h2-10,13,16-17H,11-12,14-15H2,1H3;(H,2,3,4,5)/q+1;/p-1