4-(4-pentoxyphenyl)-2,4-diphenyl-pyran-1-ium perchlorate

Systemtic Name: 4-(4-pentoxyphenyl)-2,4-diphenyl-pyran-1-ium perchlorate Openeye Name: 4-(4-pentoxyphenyl)-2,4-diphenyl-pyran-1-ium perchlorate CAS Name: 4-(4-pentoxyphenyl)-2,4-diphenylpyran-1-ium perchlorate IUPAC Name: 4-(4-pentoxyphenyl)-2,4-diphenylpyran-1-ium perchlorate Traditional Name: 4-(4-amoxyphenyl)-2,4-diphenyl-pyran-1-ium perchlorate Formula: C28H29ClO6 MolecularWeight: 496.97926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2(C=C[OH+]C(=C2)C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2(C=C[OH+]C(=C2)C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C28H28O2.ClHO4/c1-2-3-10-20-29-26-17-15-25(16-18-26)28(24-13-8-5-9-14-24)19-21-30-27(22-28)23-11-6-4-7-12-23;2-1(3,4)5/h4-9,11-19,21-22H,2-3,10,20H2,1H3;(H,2,3,4,5)