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

Systemtic Name: 6,7-dimethoxy-3-(4-methoxyphenyl)-4-(5-oxidanylpent-1-ynyl)isochromen-1-one Openeye Name: 4-(5-hydroxypent-1-ynyl)-6,7-dimethoxy-3-(4-methoxyphenyl)isochromen-1-one CAS Name: 4-(5-hydroxypent-1-ynyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-2-benzopyran-1-one IUPAC Name: 4-(5-hydroxypent-1-ynyl)-6,7-dimethoxy-3-(4-methoxyphenyl)isochromen-1-one Traditional Name: 4-(5-hydroxypent-1-ynyl)-6,7-dimethoxy-3-(4-methoxyphenyl)isocoumarin Formula: C23H22O6 MolecularWeight: 394.41718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22O6/c1-26-16-10-8-15(9-11-16)22-17(7-5-4-6-12-24)18-13-20(27-2)21(28-3)14-19(18)23(25)29-22/h8-11,13-14,24H,4,6,12H2,1-3H3