[8-iodanyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] propanoate

Systemtic Name: [8-iodanyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] propanoate Openeye Name: (3-benzyl-8-iodo-4-methyl-2-oxo-chromen-7-yl) propanoate CAS Name: propanoic acid [8-iodo-4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl] ester IUPAC Name: (3-benzyl-8-iodo-4-methyl-2-oxochromen-7-yl) propanoate Traditional Name: propionic acid (3-benzyl-8-iodo-2-keto-4-methyl-chromen-7-yl) ester Formula: C20H17IO4 MolecularWeight: 448.25105

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C2=C(C=C1)C(=C(C(=O)O2)CC3=CC=CC=C3)C)I

Isomeric SMILES

CCC(=O)OC1=C(C2=C(C=C1)C(=C(C(=O)O2)CC3=CC=CC=C3)C)I

InChI

InChI=1S/C20H17IO4/c1-3-17(22)24-16-10-9-14-12(2)15(11-13-7-5-4-6-8-13)20(23)25-19(14)18(16)21/h4-10H,3,11H2,1-2H3