5-(thiophen-2-ylmethyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(thiophen-2-ylmethyl)benzene-1,3-dicarboxylic acid Openeye Name: 5-(2-thienylmethyl)benzene-1,3-dicarboxylic acid CAS Name: 5-(thiophen-2-ylmethyl)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(thiophen-2-ylmethyl)benzene-1,3-dicarboxylic acid Traditional Name: 5-(2-thenyl)isophthalic acid Formula: C13H10O4S MolecularWeight: 262.2811

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CC2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CSC(=C1)CC2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C13H10O4S/c14-12(15)9-4-8(5-10(7-9)13(16)17)6-11-2-1-3-18-11/h1-5,7H,6H2,(H,14,15)(H,16,17)