3-[3-[2-[(4-carboxylatophenyl)methoxy]-5-chloranyl-phenyl]thiophen-2-yl]benzoate

Systemtic Name: 3-[3-[2-[(4-carboxylatophenyl)methoxy]-5-chloranyl-phenyl]thiophen-2-yl]benzoate Openeye Name: 3-[3-[2-[(4-carboxylatophenyl)methoxy]-5-chloro-phenyl]-2-thienyl]benzoate CAS Name: 3-[3-[2-[(4-carboxylatophenyl)methoxy]-5-chlorophenyl]-2-thiophenyl]benzoate IUPAC Name: 3-[3-[2-[(4-carboxylatophenyl)methoxy]-5-chlorophenyl]thiophen-2-yl]benzoate Traditional Name: 3-[3-[2-(4-carboxylatobenzyl)oxy-5-chloro-phenyl]-2-thienyl]benzoate Formula: C25H15ClO5S-2 MolecularWeight: 462.9016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)[O-])C2=C(C=CS2)C3=C(C=CC(=C3)Cl)OCC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)[O-])C2=C(C=CS2)C3=C(C=CC(=C3)Cl)OCC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C25H17ClO5S/c26-19-8-9-22(31-14-15-4-6-16(7-5-15)24(27)28)21(13-19)20-10-11-32-23(20)17-2-1-3-18(12-17)25(29)30/h1-13H,14H2,(H,27,28)(H,29,30)/p-2