3-chloranyl-4-ethoxy-5-phenylmethoxy-benzoate

Systemtic Name: 3-chloranyl-4-ethoxy-5-phenylmethoxy-benzoate Openeye Name: 3-benzyloxy-5-chloro-4-ethoxy-benzoate CAS Name: 3-chloro-4-ethoxy-5-phenylmethoxybenzoate IUPAC Name: 3-chloro-4-ethoxy-5-phenylmethoxybenzoate Traditional Name: 3-benzoxy-5-chloro-4-ethoxy-benzoate Formula: C16H14ClO4- MolecularWeight: 305.73296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)[O-])OCC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)[O-])OCC2=CC=CC=C2

InChI

InChI=1S/C16H15ClO4/c1-2-20-15-13(17)8-12(16(18)19)9-14(15)21-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,18,19)/p-1