(3S)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propanoate

Systemtic Name: (3S)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propanoate Openeye Name: (3S)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propanoate CAS Name: (3S)-3-(1,3-benzodioxol-5-yl)-3-phenylpropanoate IUPAC Name: (3S)-3-(1,3-benzodioxol-5-yl)-3-phenylpropanoate Traditional Name: (3S)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propionate Formula: C16H13O4- MolecularWeight: 269.27202

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)[C@@H](CC(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C16H14O4/c17-16(18)9-13(11-4-2-1-3-5-11)12-6-7-14-15(8-12)20-10-19-14/h1-8,13H,9-10H2,(H,17,18)/p-1/t13-/m0/s1