(2S,5Z)-4-oxidanylidene-5-(phenylmethylidene)-2-propan-2-yl-1,3-dioxolane-2-carboxylate; triethylazanium

Systemtic Name: (2S,5Z)-4-oxidanylidene-5-(phenylmethylidene)-2-propan-2-yl-1,3-dioxolane-2-carboxylate; triethylazanium Openeye Name: (2S,4Z)-4-benzylidene-2-isopropyl-5-oxo-1,3-dioxolane-2-carboxylate; triethylammonium CAS Name: (2S,5Z)-4-oxo-5-(phenylmethylene)-2-propan-2-yl-1,3-dioxolane-2-carboxylate; triethylammonium IUPAC Name: (2S,4Z)-4-benzylidene-5-oxo-2-propan-2-yl-1,3-dioxolane-2-carboxylate; triethylazanium Traditional Name: (2S,4Z)-4-benzal-2-isopropyl-5-keto-1,3-dioxolane-2-carboxylate; triethylammonium Formula: C20H29NO5 MolecularWeight: 363.44796

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC.CC(C)C1(OC(=CC2=CC=CC=C2)C(=O)O1)C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CC.CC(C)[C@@]1(O/C(=C\C2=CC=CC=C2)/C(=O)O1)C(=O)[O-]

InChI

InChI=1S/C14H14O5.C6H15N/c1-9(2)14(13(16)17)18-11(12(15)19-14)8-10-6-4-3-5-7-10;1-4-7(5-2)6-3/h3-9H,1-2H3,(H,16,17);4-6H2,1-3H3/b11-8-;/t14-;/m0./s1