2-(3,4-dimethoxyphenyl)-3-[(E)-5-oxidanyl-2-(1-oxidanylpropyl)hept-1-en-3-ynyl]chromen-4-one

Systemtic Name: 2-(3,4-dimethoxyphenyl)-3-[(E)-5-oxidanyl-2-(1-oxidanylpropyl)hept-1-en-3-ynyl]chromen-4-one Openeye Name: 2-(3,4-dimethoxyphenyl)-3-[(E)-5-hydroxy-2-(1-hydroxypropyl)hept-1-en-3-ynyl]chromen-4-one CAS Name: 2-(3,4-dimethoxyphenyl)-3-[(E)-5-hydroxy-2-(1-hydroxypropyl)hept-1-en-3-ynyl]-1-benzopyran-4-one IUPAC Name: 2-(3,4-dimethoxyphenyl)-3-[(E)-5-hydroxy-2-(1-hydroxypropyl)hept-1-en-3-ynyl]chromen-4-one Traditional Name: 2-(3,4-dimethoxyphenyl)-3-[(E)-5-hydroxy-2-(1-hydroxypropyl)hept-1-en-3-ynyl]chromone Formula: C27H28O6 MolecularWeight: 448.50762

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CC(=CC1=C(OC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)OC)OC)C(CC)O)O

Isomeric SMILES

CCC(C#C/C(=C\C1=C(OC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)OC)OC)/C(CC)O)O

InChI

InChI=1S/C27H28O6/c1-5-19(28)13-11-17(22(29)6-2)15-21-26(30)20-9-7-8-10-23(20)33-27(21)18-12-14-24(31-3)25(16-18)32-4/h7-10,12,14-16,19,22,28-29H,5-6H2,1-4H3/b17-15+