7-ethoxy-8-iodanyl-4-methyl-3-(phenylmethyl)chromen-2-one

Systemtic Name: 7-ethoxy-8-iodanyl-4-methyl-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-7-ethoxy-8-iodo-4-methyl-chromen-2-one CAS Name: 7-ethoxy-8-iodo-4-methyl-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-7-ethoxy-8-iodo-4-methylchromen-2-one Traditional Name: 3-benzyl-7-ethoxy-8-iodo-4-methyl-coumarin Formula: C19H17IO3 MolecularWeight: 420.24095

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=C(C=C1)C(=C(C(=O)O2)CC3=CC=CC=C3)C)I

Isomeric SMILES

CCOC1=C(C2=C(C=C1)C(=C(C(=O)O2)CC3=CC=CC=C3)C)I

InChI

InChI=1S/C19H17IO3/c1-3-22-16-10-9-14-12(2)15(11-13-7-5-4-6-8-13)19(21)23-18(14)17(16)20/h4-10H,3,11H2,1-2H3