3-(3,5-dimethoxyphenyl)-6,7-dimethoxy-4-[4-(methoxymethyl)phenyl]isochromen-1-one

Systemtic Name: 3-(3,5-dimethoxyphenyl)-6,7-dimethoxy-4-[4-(methoxymethyl)phenyl]isochromen-1-one Openeye Name: 3-(3,5-dimethoxyphenyl)-6,7-dimethoxy-4-[4-(methoxymethyl)phenyl]isochromen-1-one CAS Name: 3-(3,5-dimethoxyphenyl)-6,7-dimethoxy-4-[4-(methoxymethyl)phenyl]-2-benzopyran-1-one IUPAC Name: 3-(3,5-dimethoxyphenyl)-6,7-dimethoxy-4-[4-(methoxymethyl)phenyl]isochromen-1-one Traditional Name: 3-(3,5-dimethoxyphenyl)-6,7-dimethoxy-4-[4-(methoxymethyl)phenyl]isocoumarin Formula: C27H26O7 MolecularWeight: 462.49114

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=C(C=C1)C2=C(OC(=O)C3=CC(=C(C=C32)OC)OC)C4=CC(=CC(=C4)OC)OC

Isomeric SMILES

COCC1=CC=C(C=C1)C2=C(OC(=O)C3=CC(=C(C=C32)OC)OC)C4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C27H26O7/c1-29-15-16-6-8-17(9-7-16)25-21-13-23(32-4)24(33-5)14-22(21)27(28)34-26(25)18-10-19(30-2)12-20(11-18)31-3/h6-14H,15H2,1-5H3