(7-oxidanylidene-3-propan-2-yl-cyclohepta-1,3,5-trien-1-yl) (E)-3-(4-acetyloxyphenyl)prop-2-enoate

Systemtic Name: (7-oxidanylidene-3-propan-2-yl-cyclohepta-1,3,5-trien-1-yl) (E)-3-(4-acetyloxyphenyl)prop-2-enoate Openeye Name: (3-isopropyl-7-oxo-cyclohepta-1,3,5-trien-1-yl) (E)-3-(4-acetoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-acetyloxyphenyl)-2-propenoic acid (7-oxo-3-propan-2-yl-1-cyclohepta-1,3,5-trienyl) ester IUPAC Name: (7-oxo-3-propan-2-ylcyclohepta-1,3,5-trien-1-yl) (E)-3-(4-acetyloxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-acetoxyphenyl)acrylic acid (3-isopropyl-7-keto-cyclohepta-1,3,5-trien-1-yl) ester Formula: C21H20O5 MolecularWeight: 352.3805

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC(=O)C(=C1)OC(=O)C=CC2=CC=C(C=C2)OC(=O)C

Isomeric SMILES

CC(C)C1=CC=CC(=O)C(=C1)OC(=O)/C=C/C2=CC=C(C=C2)OC(=O)C

InChI

InChI=1S/C21H20O5/c1-14(2)17-5-4-6-19(23)20(13-17)26-21(24)12-9-16-7-10-18(11-8-16)25-15(3)22/h4-14H,1-3H3/b12-9+