2-(1-benzothiophen-3-ylmethyl)propanedioic acid

Systemtic Name: 2-(1-benzothiophen-3-ylmethyl)propanedioic acid Openeye Name: 2-(benzothiophen-3-ylmethyl)propanedioic acid CAS Name: 2-(1-benzothiophen-3-ylmethyl)propanedioic acid IUPAC Name: 2-(1-benzothiophen-3-ylmethyl)propanedioic acid Traditional Name: 2-(benzothiophen-3-ylmethyl)malonic acid Formula: C12H10O4S MolecularWeight: 250.2704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CS2)CC(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CS2)CC(C(=O)O)C(=O)O

InChI

InChI=1S/C12H10O4S/c13-11(14)9(12(15)16)5-7-6-17-10-4-2-1-3-8(7)10/h1-4,6,9H,5H2,(H,13,14)(H,15,16)