3-heptyl-7-(2-iodanylphenyl)-7-methyl-isochromene-6,8-dione

Systemtic Name: 3-heptyl-7-(2-iodanylphenyl)-7-methyl-isochromene-6,8-dione Openeye Name: 3-heptyl-7-(2-iodophenyl)-7-methyl-isochromene-6,8-dione CAS Name: 3-heptyl-7-(2-iodophenyl)-7-methyl-2-benzopyran-6,8-dione IUPAC Name: 3-heptyl-7-(2-iodophenyl)-7-methylisochromene-6,8-dione Traditional Name: 3-heptyl-7-(2-iodophenyl)-7-methyl-isochromene-6,8-quinone Formula: C23H25IO3 MolecularWeight: 476.34727

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC2=CC(=O)C(C(=O)C2=CO1)(C)C3=CC=CC=C3I

Isomeric SMILES

CCCCCCCC1=CC2=CC(=O)C(C(=O)C2=CO1)(C)C3=CC=CC=C3I

InChI

InChI=1S/C23H25IO3/c1-3-4-5-6-7-10-17-13-16-14-21(25)23(2,22(26)18(16)15-27-17)19-11-8-9-12-20(19)24/h8-9,11-15H,3-7,10H2,1-2H3