ethyl (2E)-2-(1H-isochromen-1-ylmethylidene)-6,6-dimethyl-4-oxidanylidene-heptanoate

Systemtic Name: ethyl (2E)-2-(1H-isochromen-1-ylmethylidene)-6,6-dimethyl-4-oxidanylidene-heptanoate Openeye Name: ethyl (2E)-2-(1H-isochromen-1-ylmethylene)-6,6-dimethyl-4-oxo-heptanoate CAS Name: (2E)-2-(1H-2-benzopyran-1-ylmethylidene)-6,6-dimethyl-4-oxoheptanoic acid ethyl ester IUPAC Name: ethyl (2E)-2-(1H-isochromen-1-ylmethylidene)-6,6-dimethyl-4-oxoheptanoate Traditional Name: (E)-3-(1H-isochromen-1-yl)-2-(2-keto-4,4-dimethyl-pentyl)acrylic acid ethyl ester Formula: C21H26O4 MolecularWeight: 342.42874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1C2=CC=CC=C2C=CO1)CC(=O)CC(C)(C)C

Isomeric SMILES

CCOC(=O)/C(=C/C1C2=CC=CC=C2C=CO1)/CC(=O)CC(C)(C)C

InChI

InChI=1S/C21H26O4/c1-5-24-20(23)16(12-17(22)14-21(2,3)4)13-19-18-9-7-6-8-15(18)10-11-25-19/h6-11,13,19H,5,12,14H2,1-4H3/b16-13+