2,4-bis(4-butoxy-3-iodanyl-phenyl)-6-methyl-pyrylium

Systemtic Name: 2,4-bis(4-butoxy-3-iodanyl-phenyl)-6-methyl-pyrylium Openeye Name: 2,4-bis(4-butoxy-3-iodo-phenyl)-6-methyl-pyrylium CAS Name: 2,4-bis(4-butoxy-3-iodophenyl)-6-methylpyrylium IUPAC Name: 2,4-bis(4-butoxy-3-iodophenyl)-6-methylpyrylium Traditional Name: 2,4-bis(4-butoxy-3-iodo-phenyl)-6-methyl-pyrylium Formula: C26H29I2O3+ MolecularWeight: 643.3156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2=CC(=[O+]C(=C2)C)C3=CC(=C(C=C3)OCCCC)I)I

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2=CC(=[O+]C(=C2)C)C3=CC(=C(C=C3)OCCCC)I)I

InChI

InChI=1S/C26H29I2O3/c1-4-6-12-29-24-10-8-19(15-22(24)27)21-14-18(3)31-26(17-21)20-9-11-25(23(28)16-20)30-13-7-5-2/h8-11,14-17H,4-7,12-13H2,1-3H3/q+1