tert-butyl 3-(4-bromophenyl)-2-diethoxyphosphoryl-5-(1,3-dioxolan-2-yl)pentanoate

Systemtic Name: tert-butyl 3-(4-bromophenyl)-2-diethoxyphosphoryl-5-(1,3-dioxolan-2-yl)pentanoate Openeye Name: tert-butyl 3-(4-bromophenyl)-2-diethoxyphosphoryl-5-(1,3-dioxolan-2-yl)pentanoate CAS Name: 3-(4-bromophenyl)-2-diethoxyphosphoryl-5-(1,3-dioxolan-2-yl)pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-bromophenyl)-2-diethoxyphosphoryl-5-(1,3-dioxolan-2-yl)pentanoate Traditional Name: 3-(4-bromophenyl)-2-diethoxyphosphoryl-5-(1,3-dioxolan-2-yl)valeric acid tert-butyl ester Formula: C22H34BrO7P MolecularWeight: 521.378921

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C(CCC1OCCO1)C2=CC=C(C=C2)Br)C(=O)OC(C)(C)C)OCC

Isomeric SMILES

CCOP(=O)(C(C(CCC1OCCO1)C2=CC=C(C=C2)Br)C(=O)OC(C)(C)C)OCC

InChI

InChI=1S/C22H34BrO7P/c1-6-28-31(25,29-7-2)20(21(24)30-22(3,4)5)18(12-13-19-26-14-15-27-19)16-8-10-17(23)11-9-16/h8-11,18-20H,6-7,12-15H2,1-5H3