7-hexoxy-8-iodanyl-3,4-dimethyl-chromen-2-one

Systemtic Name: 7-hexoxy-8-iodanyl-3,4-dimethyl-chromen-2-one Openeye Name: 7-hexoxy-8-iodo-3,4-dimethyl-chromen-2-one CAS Name: 7-hexoxy-8-iodo-3,4-dimethyl-1-benzopyran-2-one IUPAC Name: 7-hexoxy-8-iodo-3,4-dimethylchromen-2-one Traditional Name: 7-hexoxy-8-iodo-3,4-dimethyl-coumarin Formula: C17H21IO3 MolecularWeight: 400.25131

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C2=C(C=C1)C(=C(C(=O)O2)C)C)I

Isomeric SMILES

CCCCCCOC1=C(C2=C(C=C1)C(=C(C(=O)O2)C)C)I

InChI

InChI=1S/C17H21IO3/c1-4-5-6-7-10-20-14-9-8-13-11(2)12(3)17(19)21-16(13)15(14)18/h8-9H,4-7,10H2,1-3H3