2-[2-(cyclopropylmethyl)phenyl]sulfanylpropanedioic acid

Systemtic Name: 2-[2-(cyclopropylmethyl)phenyl]sulfanylpropanedioic acid Openeye Name: 2-[2-(cyclopropylmethyl)phenyl]sulfanylpropanedioic acid CAS Name: 2-[[2-(cyclopropylmethyl)phenyl]thio]propanedioic acid IUPAC Name: 2-[2-(cyclopropylmethyl)phenyl]sulfanylpropanedioic acid Traditional Name: 2-[[2-(cyclopropylmethyl)phenyl]thio]malonic acid Formula: C13H14O4S MolecularWeight: 266.31286

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CC2=CC=CC=C2SC(C(=O)O)C(=O)O

Isomeric SMILES

C1CC1CC2=CC=CC=C2SC(C(=O)O)C(=O)O

InChI

InChI=1S/C13H14O4S/c14-12(15)11(13(16)17)18-10-4-2-1-3-9(10)7-8-5-6-8/h1-4,8,11H,5-7H2,(H,14,15)(H,16,17)