2-(3,4-dimethoxyphenyl)-3-oxidanyl-6-(12-phenylmethoxydodec-1-ynyl)chromen-4-one

Systemtic Name: 2-(3,4-dimethoxyphenyl)-3-oxidanyl-6-(12-phenylmethoxydodec-1-ynyl)chromen-4-one Openeye Name: 6-(12-benzyloxydodec-1-ynyl)-2-(3,4-dimethoxyphenyl)-3-hydroxy-chromen-4-one CAS Name: 2-(3,4-dimethoxyphenyl)-3-hydroxy-6-(12-phenylmethoxydodec-1-ynyl)-1-benzopyran-4-one IUPAC Name: 2-(3,4-dimethoxyphenyl)-3-hydroxy-6-(12-phenylmethoxydodec-1-ynyl)chromen-4-one Traditional Name: 6-(12-benzoxydodec-1-ynyl)-2-(3,4-dimethoxyphenyl)-3-hydroxy-chromone Formula: C36H40O6 MolecularWeight: 568.6992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)C#CCCCCCCCCCCOCC4=CC=CC=C4)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)C#CCCCCCCCCCCOCC4=CC=CC=C4)O)OC

InChI

InChI=1S/C36H40O6/c1-39-32-22-20-29(25-33(32)40-2)36-35(38)34(37)30-24-27(19-21-31(30)42-36)16-12-9-7-5-3-4-6-8-10-15-23-41-26-28-17-13-11-14-18-28/h11,13-14,17-22,24-25,38H,3-10,15,23,26H2,1-2H3