2-[3-methoxy-2-(2-thiophen-3-ylethyl)phenyl]propanedioic acid

Systemtic Name: 2-[3-methoxy-2-(2-thiophen-3-ylethyl)phenyl]propanedioic acid Openeye Name: 2-[3-methoxy-2-[2-(3-thienyl)ethyl]phenyl]propanedioic acid CAS Name: 2-[3-methoxy-2-[2-(3-thiophenyl)ethyl]phenyl]propanedioic acid IUPAC Name: 2-[3-methoxy-2-(2-thiophen-3-ylethyl)phenyl]propanedioic acid Traditional Name: 2-[3-methoxy-2-[2-(3-thienyl)ethyl]phenyl]malonic acid Formula: C16H16O5S MolecularWeight: 320.36024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1CCC2=CSC=C2)C(C(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1CCC2=CSC=C2)C(C(=O)O)C(=O)O

InChI

InChI=1S/C16H16O5S/c1-21-13-4-2-3-12(14(15(17)18)16(19)20)11(13)6-5-10-7-8-22-9-10/h2-4,7-9,14H,5-6H2,1H3,(H,17,18)(H,19,20)