4-(4-decoxyphenyl)-2-phenyl-5,6,7,8-tetrahydrochromen-1-ium perchlorate

Systemtic Name: 4-(4-decoxyphenyl)-2-phenyl-5,6,7,8-tetrahydrochromen-1-ium perchlorate Openeye Name: 4-(4-decoxyphenyl)-2-phenyl-5,6,7,8-tetrahydrochromen-1-ium perchlorate CAS Name: 4-(4-decoxyphenyl)-2-phenyl-5,6,7,8-tetrahydro-1-benzopyran-1-ium perchlorate IUPAC Name: 4-(4-decoxyphenyl)-2-phenyl-5,6,7,8-tetrahydrochromen-1-ium perchlorate Traditional Name: 4-(4-decoxyphenyl)-2-phenyl-5,6,7,8-tetrahydrochromen-1-ium perchlorate Formula: C31H39ClO6 MolecularWeight: 543.09076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC(=[O+]C3=C2CCCC3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC(=[O+]C3=C2CCCC3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C31H39O2.ClHO4/c1-2-3-4-5-6-7-8-14-23-32-27-21-19-25(20-22-27)29-24-31(26-15-10-9-11-16-26)33-30-18-13-12-17-28(29)30;2-1(3,4)5/h9-11,15-16,19-22,24H,2-8,12-14,17-18,23H2,1H3;(H,2,3,4,5)/q+1;/p-1