7-iodanyl-4-methyl-3-propan-2-yl-chromen-2-one

Systemtic Name: 7-iodanyl-4-methyl-3-propan-2-yl-chromen-2-one Openeye Name: 7-iodo-3-isopropyl-4-methyl-chromen-2-one CAS Name: 7-iodo-4-methyl-3-propan-2-yl-1-benzopyran-2-one IUPAC Name: 7-iodo-4-methyl-3-propan-2-ylchromen-2-one Traditional Name: 7-iodo-3-isopropyl-4-methyl-coumarin Formula: C13H13IO2 MolecularWeight: 328.14559

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)I)C(C)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)I)C(C)C

InChI

InChI=1S/C13H13IO2/c1-7(2)12-8(3)10-5-4-9(14)6-11(10)16-13(12)15/h4-7H,1-3H3