4-[(1R,2S)-2-phenylcyclopropyl]benzene-1,3-dicarboxylate

Systemtic Name: 4-[(1R,2S)-2-phenylcyclopropyl]benzene-1,3-dicarboxylate Openeye Name: 4-[(1R,2S)-2-phenylcyclopropyl]benzene-1,3-dicarboxylate CAS Name: 4-[(1R,2S)-2-phenylcyclopropyl]benzene-1,3-dicarboxylate IUPAC Name: 4-[(1R,2S)-2-phenylcyclopropyl]benzene-1,3-dicarboxylate Traditional Name: 4-[(1R,2S)-2-phenylcyclopropyl]isophthalate Formula: C17H12O4-2 MolecularWeight: 280.27478

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1C2=C(C=C(C=C2)C(=O)[O-])C(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1[C@@H]([C@@H]1C2=C(C=C(C=C2)C(=O)[O-])C(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H14O4/c18-16(19)11-6-7-12(15(8-11)17(20)21)14-9-13(14)10-4-2-1-3-5-10/h1-8,13-14H,9H2,(H,18,19)(H,20,21)/p-2/t13-,14+/m1/s1