3-(3,4-dimethoxyphenyl)-4-iodanyl-8-methoxy-isochromen-1-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-4-iodanyl-8-methoxy-isochromen-1-one Openeye Name: 3-(3,4-dimethoxyphenyl)-4-iodo-8-methoxy-isochromen-1-one CAS Name: 3-(3,4-dimethoxyphenyl)-4-iodo-8-methoxy-2-benzopyran-1-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-4-iodo-8-methoxyisochromen-1-one Traditional Name: 3-(3,4-dimethoxyphenyl)-4-iodo-8-methoxy-isocoumarin Formula: C18H15IO5 MolecularWeight: 438.21317

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C3=C(C(=CC=C3)OC)C(=O)O2)I)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C3=C(C(=CC=C3)OC)C(=O)O2)I)OC

InChI

InChI=1S/C18H15IO5/c1-21-12-8-7-10(9-14(12)23-3)17-16(19)11-5-4-6-13(22-2)15(11)18(20)24-17/h4-9H,1-3H3