bromanyl 2-(4-ethoxyphenyl)propanoate; (4-hydroxyphenyl)sulfanyl 2-(4-ethoxyphenyl)propanoate

Systemtic Name: bromanyl 2-(4-ethoxyphenyl)propanoate; (4-hydroxyphenyl)sulfanyl 2-(4-ethoxyphenyl)propanoate Openeye Name: bromo 2-(4-ethoxyphenyl)propanoate; (4-hydroxyphenyl)sulfanyl 2-(4-ethoxyphenyl)propanoate CAS Name: 2-(4-ethoxyphenyl)propanoic acid bromo ester; 2-(4-ethoxyphenyl)propanoic acid [(4-hydroxyphenyl)thio] ester IUPAC Name: bromo 2-(4-ethoxyphenyl)propanoate; (4-hydroxyphenyl)sulfanyl 2-(4-ethoxyphenyl)propanoate Traditional Name: 2-p-phenetylpropionic acid bromo ester; 2-p-phenetylpropionic acid [(4-hydroxyphenyl)thio] ester Formula: C28H31BrO7S MolecularWeight: 591.51054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C)C(=O)OSC2=CC=C(C=C2)O.CCOC1=CC=C(C=C1)C(C)C(=O)OBr

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C)C(=O)OSC2=CC=C(C=C2)O.CCOC1=CC=C(C=C1)C(C)C(=O)OBr

InChI

InChI=1S/C17H18O4S.C11H13BrO3/c1-3-20-15-8-4-13(5-9-15)12(2)17(19)21-22-16-10-6-14(18)7-11-16;1-3-14-10-6-4-9(5-7-10)8(2)11(13)15-12/h4-12,18H,3H2,1-2H3;4-8H,3H2,1-2H3