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

Systemtic Name: 6,7-dimethoxy-3-(4-methoxyphenyl)-4-(4-oxidanylbut-1-ynyl)isochromen-1-one Openeye Name: 4-(4-hydroxybut-1-ynyl)-6,7-dimethoxy-3-(4-methoxyphenyl)isochromen-1-one CAS Name: 4-(4-hydroxybut-1-ynyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-2-benzopyran-1-one IUPAC Name: 4-(4-hydroxybut-1-ynyl)-6,7-dimethoxy-3-(4-methoxyphenyl)isochromen-1-one Traditional Name: 4-(4-hydroxybut-1-ynyl)-6,7-dimethoxy-3-(4-methoxyphenyl)isocoumarin Formula: C22H20O6 MolecularWeight: 380.3906

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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#CCCO

Isomeric SMILES

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

InChI

InChI=1S/C22H20O6/c1-25-15-9-7-14(8-10-15)21-16(6-4-5-11-23)17-12-19(26-2)20(27-3)13-18(17)22(24)28-21/h7-10,12-13,23H,5,11H2,1-3H3