[(E,1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexadec-2-enyl] benzoate

Systemtic Name: [(E,1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexadec-2-enyl] benzoate Openeye Name: [(E,1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexadec-2-enyl] benzoate CAS Name: benzoic acid [(E,1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexadec-2-enyl] ester IUPAC Name: [(E,1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexadec-2-enyl] benzoate Traditional Name: benzoic acid [(E,1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexadec-2-enyl] ester Formula: C28H44O4 MolecularWeight: 444.64656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C1COC(O1)(C)C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H]1COC(O1)(C)C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C28H44O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(26-23-30-28(2,3)32-26)31-27(29)24-20-17-16-18-21-24/h16-22,25-26H,4-15,23H2,1-3H3/b22-19+/t25-,26-/m1/s1