(3S)-3-(4-chlorophenyl)carbonyl-6-methoxy-2-(trifluoromethyl)-3H-indene-1-carboxylate

Systemtic Name: (3S)-3-(4-chlorophenyl)carbonyl-6-methoxy-2-(trifluoromethyl)-3H-indene-1-carboxylate Openeye Name: (3S)-3-(4-chlorobenzoyl)-6-methoxy-2-(trifluoromethyl)-3H-indene-1-carboxylate CAS Name: (3S)-3-[(4-chlorophenyl)-oxomethyl]-6-methoxy-2-(trifluoromethyl)-3H-indene-1-carboxylate IUPAC Name: (3S)-3-(4-chlorobenzoyl)-6-methoxy-2-(trifluoromethyl)-3H-indene-1-carboxylate Traditional Name: (3S)-3-(4-chlorobenzoyl)-6-methoxy-2-(trifluoromethyl)-3H-indene-1-carboxylate Formula: C19H11ClF3O4- MolecularWeight: 395.73645

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(C(=C2C(=O)[O-])C(F)(F)F)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)[C@@H](C(=C2C(=O)[O-])C(F)(F)F)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H12ClF3O4/c1-27-11-6-7-12-13(8-11)15(18(25)26)16(19(21,22)23)14(12)17(24)9-2-4-10(20)5-3-9/h2-8,14H,1H3,(H,25,26)/p-1/t14-/m0/s1