1-(2-tert-butyl-5-thiophen-2-yloxy-1,3-dioxan-4-yl)ethyl benzoate

Systemtic Name: 1-(2-tert-butyl-5-thiophen-2-yloxy-1,3-dioxan-4-yl)ethyl benzoate Openeye Name: 1-[2-tert-butyl-5-(2-thienyloxy)-1,3-dioxan-4-yl]ethyl benzoate CAS Name: benzoic acid 1-(2-tert-butyl-5-thiophen-2-yloxy-1,3-dioxan-4-yl)ethyl ester IUPAC Name: 1-(2-tert-butyl-5-thiophen-2-yloxy-1,3-dioxan-4-yl)ethyl benzoate Traditional Name: benzoic acid 1-[2-tert-butyl-5-(2-thienyloxy)-1,3-dioxan-4-yl]ethyl ester Formula: C21H26O5S MolecularWeight: 390.49314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(COC(O1)C(C)(C)C)OC2=CC=CS2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C1C(COC(O1)C(C)(C)C)OC2=CC=CS2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26O5S/c1-14(24-19(22)15-9-6-5-7-10-15)18-16(25-17-11-8-12-27-17)13-23-20(26-18)21(2,3)4/h5-12,14,16,18,20H,13H2,1-4H3