3-[(2S,4S)-2-tert-butyl-5-oxidanylidene-4-(phenylmethyl)-1,3-dioxolan-4-yl]propanoic acid

Systemtic Name: 3-[(2S,4S)-2-tert-butyl-5-oxidanylidene-4-(phenylmethyl)-1,3-dioxolan-4-yl]propanoic acid Openeye Name: 3-[(2S,4S)-4-benzyl-2-tert-butyl-5-oxo-1,3-dioxolan-4-yl]propanoic acid CAS Name: 3-[(2S,4S)-2-tert-butyl-5-oxo-4-(phenylmethyl)-1,3-dioxolan-4-yl]propanoic acid IUPAC Name: 3-[(2S,4S)-4-benzyl-2-tert-butyl-5-oxo-1,3-dioxolan-4-yl]propanoic acid Traditional Name: 3-[(2S,4S)-4-benzyl-2-tert-butyl-5-keto-1,3-dioxolan-4-yl]propionic acid Formula: C17H22O5 MolecularWeight: 306.35358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1OC(=O)C(O1)(CCC(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)[C@@H]1OC(=O)[C@](O1)(CCC(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C17H22O5/c1-16(2,3)15-21-14(20)17(22-15,10-9-13(18)19)11-12-7-5-4-6-8-12/h4-8,15H,9-11H2,1-3H3,(H,18,19)/t15-,17+/m1/s1