3-(6-oxidanylhexyl)-4-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]benzoate

Systemtic Name: 3-(6-oxidanylhexyl)-4-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]benzoate Openeye Name: 3-(6-hydroxyhexyl)-4-[(E)-3-oxo-3-phenyl-prop-1-enyl]benzoate CAS Name: 3-(6-hydroxyhexyl)-4-[(E)-3-oxo-3-phenylprop-1-enyl]benzoate IUPAC Name: 3-(6-hydroxyhexyl)-4-[(E)-3-oxo-3-phenylprop-1-enyl]benzoate Traditional Name: 3-(6-hydroxyhexyl)-4-[(E)-3-keto-3-phenyl-prop-1-enyl]benzoate Formula: C22H23O4- MolecularWeight: 351.41562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C=CC2=C(C=C(C=C2)C(=O)[O-])CCCCCCO

Isomeric SMILES

C1=CC=C(C=C1)C(=O)/C=C/C2=C(C=C(C=C2)C(=O)[O-])CCCCCCO

InChI

InChI=1S/C22H24O4/c23-15-7-2-1-4-10-19-16-20(22(25)26)12-11-17(19)13-14-21(24)18-8-5-3-6-9-18/h3,5-6,8-9,11-14,16,23H,1-2,4,7,10,15H2,(H,25,26)/p-1/b14-13+