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

Systemtic Name: 3-methoxy-7-(3-phenylpropyl)-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate Openeye Name: 3-methoxy-7-(3-phenylpropyl)-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate CAS Name: 3-methoxy-7-(3-phenylpropyl)-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate IUPAC Name: 3-methoxy-7-(3-phenylpropyl)-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate Traditional Name: 3-methoxy-7-(3-phenylpropyl)-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate Formula: C27H25ClO6 MolecularWeight: 480.9368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=[O+]C4=CC=CC=C4C(=C3CC2)CCCC5=CC=CC=C5.[O-]Cl(=O)(=O)=O

Isomeric SMILES

COC1=CC2=C(C=C1)C3=[O+]C4=CC=CC=C4C(=C3CC2)CCCC5=CC=CC=C5.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C27H25O2.ClHO4/c1-28-21-15-17-22-20(18-21)14-16-25-23(12-7-10-19-8-3-2-4-9-19)24-11-5-6-13-26(24)29-27(22)25;2-1(3,4)5/h2-6,8-9,11,13,15,17-18H,7,10,12,14,16H2,1H3;(H,2,3,4,5)/q+1;/p-1