4-[(E)-2-(5,5-dimethyl-8-oxidanylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate

Systemtic Name: 4-[(E)-2-(5,5-dimethyl-8-oxidanylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate Openeye Name: 4-[(E)-2-(1,1-dimethyl-4-oxo-tetralin-6-yl)vinyl]benzoate CAS Name: 4-[(E)-2-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate IUPAC Name: 4-[(E)-2-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate Traditional Name: 4-[(E)-2-(4-keto-1,1-dimethyl-tetralin-6-yl)vinyl]benzoate Formula: C21H19O3- MolecularWeight: 319.37376

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C2=C1C=CC(=C2)C=CC3=CC=C(C=C3)C(=O)[O-])C

Isomeric SMILES

CC1(CCC(=O)C2=C1C=CC(=C2)/C=C/C3=CC=C(C=C3)C(=O)[O-])C

InChI

InChI=1S/C21H20O3/c1-21(2)12-11-19(22)17-13-15(7-10-18(17)21)4-3-14-5-8-16(9-6-14)20(23)24/h3-10,13H,11-12H2,1-2H3,(H,23,24)/p-1/b4-3+