4-[5-bromanyl-3-[(Z)-2-phenylmethoxybut-2-enyl]thiophen-2-yl]benzoic acid

Systemtic Name: 4-[5-bromanyl-3-[(Z)-2-phenylmethoxybut-2-enyl]thiophen-2-yl]benzoic acid Openeye Name: 4-[3-[(Z)-2-benzyloxybut-2-enyl]-5-bromo-2-thienyl]benzoic acid CAS Name: 4-[5-bromo-3-[(Z)-2-phenylmethoxybut-2-enyl]-2-thiophenyl]benzoic acid IUPAC Name: 4-[5-bromo-3-[(Z)-2-phenylmethoxybut-2-enyl]thiophen-2-yl]benzoic acid Traditional Name: 4-[3-[(Z)-2-benzoxybut-2-enyl]-5-bromo-2-thienyl]benzoic acid Formula: C22H19BrO3S MolecularWeight: 443.35346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=C(CC1=C(SC(=C1)Br)C2=CC=C(C=C2)C(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

C/C=C(/CC1=C(SC(=C1)Br)C2=CC=C(C=C2)C(=O)O)\OCC3=CC=CC=C3

InChI

InChI=1S/C22H19BrO3S/c1-2-19(26-14-15-6-4-3-5-7-15)12-18-13-20(23)27-21(18)16-8-10-17(11-9-16)22(24)25/h2-11,13H,12,14H2,1H3,(H,24,25)/b19-2-