3-(3,5-dimethoxyphenyl)-6,7-dimethoxy-4-(5-oxidanylpent-1-ynyl)isochromen-1-one

Systemtic Name: 3-(3,5-dimethoxyphenyl)-6,7-dimethoxy-4-(5-oxidanylpent-1-ynyl)isochromen-1-one Openeye Name: 3-(3,5-dimethoxyphenyl)-4-(5-hydroxypent-1-ynyl)-6,7-dimethoxy-isochromen-1-one CAS Name: 3-(3,5-dimethoxyphenyl)-4-(5-hydroxypent-1-ynyl)-6,7-dimethoxy-2-benzopyran-1-one IUPAC Name: 3-(3,5-dimethoxyphenyl)-4-(5-hydroxypent-1-ynyl)-6,7-dimethoxyisochromen-1-one Traditional Name: 3-(3,5-dimethoxyphenyl)-4-(5-hydroxypent-1-ynyl)-6,7-dimethoxy-isocoumarin Formula: C24H24O7 MolecularWeight: 424.44316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3C(=O)O2)OC)OC)C#CCCCO)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3C(=O)O2)OC)OC)C#CCCCO)OC

InChI

InChI=1S/C24H24O7/c1-27-16-10-15(11-17(12-16)28-2)23-18(8-6-5-7-9-25)19-13-21(29-3)22(30-4)14-20(19)24(26)31-23/h10-14,25H,5,7,9H2,1-4H3