4-phenyl-4-[3-(thiophen-3-ylmethoxy)phenoxy]butanoate

Systemtic Name: 4-phenyl-4-[3-(thiophen-3-ylmethoxy)phenoxy]butanoate Openeye Name: 4-phenyl-4-[3-(3-thienylmethoxy)phenoxy]butanoate CAS Name: 4-phenyl-4-[3-(3-thiophenylmethoxy)phenoxy]butanoate IUPAC Name: 4-phenyl-4-[3-(thiophen-3-ylmethoxy)phenoxy]butanoate Traditional Name: 4-phenyl-4-[3-(3-thenyloxy)phenoxy]butyrate Formula: C21H19O4S- MolecularWeight: 367.43816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCC(=O)[O-])OC2=CC=CC(=C2)OCC3=CSC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(CCC(=O)[O-])OC2=CC=CC(=C2)OCC3=CSC=C3

InChI

InChI=1S/C21H20O4S/c22-21(23)10-9-20(17-5-2-1-3-6-17)25-19-8-4-7-18(13-19)24-14-16-11-12-26-15-16/h1-8,11-13,15,20H,9-10,14H2,(H,22,23)/p-1