[4-[(E)-5-(4-acetyloxy-3-oxidanyl-phenyl)pent-1-en-4-ynyl]-2-oxidanyl-phenyl] ethanoate

Systemtic Name: [4-[(E)-5-(4-acetyloxy-3-oxidanyl-phenyl)pent-1-en-4-ynyl]-2-oxidanyl-phenyl] ethanoate Openeye Name: [4-[(E)-5-(4-acetoxy-3-hydroxy-phenyl)pent-1-en-4-ynyl]-2-hydroxy-phenyl] acetate CAS Name: acetic acid [4-[(E)-5-(4-acetyloxy-3-hydroxyphenyl)pent-1-en-4-ynyl]-2-hydroxyphenyl] ester IUPAC Name: [4-[(E)-5-(4-acetyloxy-3-hydroxyphenyl)pent-1-en-4-ynyl]-2-hydroxyphenyl] acetate Traditional Name: acetic acid [4-[(E)-5-(4-acetoxy-3-hydroxy-phenyl)pent-1-en-4-ynyl]-2-hydroxy-phenyl] ester Formula: C21H18O6 MolecularWeight: 366.36402

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C=CCC#CC2=CC(=C(C=C2)OC(=O)C)O)O

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)/C=C/CC#CC2=CC(=C(C=C2)OC(=O)C)O)O

InChI

InChI=1S/C21H18O6/c1-14(22)26-20-10-8-16(12-18(20)24)6-4-3-5-7-17-9-11-21(19(25)13-17)27-15(2)23/h4,6,8-13,24-25H,3H2,1-2H3/b6-4+