6,7-dimethoxy-3-(4-methoxyphenyl)-4-[2-(1-oxidanylcyclohexyl)ethynyl]isochromen-1-one

Systemtic Name: 6,7-dimethoxy-3-(4-methoxyphenyl)-4-[2-(1-oxidanylcyclohexyl)ethynyl]isochromen-1-one Openeye Name: 4-[2-(1-hydroxycyclohexyl)ethynyl]-6,7-dimethoxy-3-(4-methoxyphenyl)isochromen-1-one CAS Name: 4-[2-(1-hydroxycyclohexyl)ethynyl]-6,7-dimethoxy-3-(4-methoxyphenyl)-2-benzopyran-1-one IUPAC Name: 4-[2-(1-hydroxycyclohexyl)ethynyl]-6,7-dimethoxy-3-(4-methoxyphenyl)isochromen-1-one Traditional Name: 4-[2-(1-hydroxycyclohexyl)ethynyl]-6,7-dimethoxy-3-(4-methoxyphenyl)isocoumarin Formula: C26H26O6 MolecularWeight: 434.48104

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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#CC4(CCCCC4)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=CC(=C(C=C3C(=O)O2)OC)OC)C#CC4(CCCCC4)O

InChI

InChI=1S/C26H26O6/c1-29-18-9-7-17(8-10-18)24-19(11-14-26(28)12-5-4-6-13-26)20-15-22(30-2)23(31-3)16-21(20)25(27)32-24/h7-10,15-16,28H,4-6,12-13H2,1-3H3