(4-propylphenyl) 4-(5-pentyl-1,3,2-oxathiaborinan-2-yl)benzoate

Systemtic Name: (4-propylphenyl) 4-(5-pentyl-1,3,2-oxathiaborinan-2-yl)benzoate Openeye Name: (4-propylphenyl) 4-(5-pentyl-1,3,2-oxathiaborinan-2-yl)benzoate CAS Name: 4-(5-pentyl-1,3,2-oxathiaborinan-2-yl)benzoic acid (4-propylphenyl) ester IUPAC Name: (4-propylphenyl) 4-(5-pentyl-1,3,2-oxathiaborinan-2-yl)benzoate Traditional Name: 4-(5-amyl-1,3,2-oxathiaborinan-2-yl)benzoic acid (4-propylphenyl) ester Formula: C24H31BO3S MolecularWeight: 410.37714

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Descriptors Computed from Structure

Canonical SMILES:

B1(OCC(CS1)CCCCC)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCC

Isomeric SMILES

B1(OCC(CS1)CCCCC)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCC

InChI

InChI=1S/C24H31BO3S/c1-3-5-6-8-20-17-27-25(29-18-20)22-13-11-21(12-14-22)24(26)28-23-15-9-19(7-4-2)10-16-23/h9-16,20H,3-8,17-18H2,1-2H3