2-(3-phenylpropylsulfinylmethyl)pentanedioic acid

Systemtic Name: 2-(3-phenylpropylsulfinylmethyl)pentanedioic acid Openeye Name: 2-(3-phenylpropylsulfinylmethyl)pentanedioic acid CAS Name: 2-(3-phenylpropylsulfinylmethyl)pentanedioic acid IUPAC Name: 2-(3-phenylpropylsulfinylmethyl)pentanedioic acid Traditional Name: 2-(3-phenylpropylsulfinylmethyl)glutaric acid Formula: C15H20O5S MolecularWeight: 312.3813

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCS(=O)CC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCS(=O)CC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C15H20O5S/c16-14(17)9-8-13(15(18)19)11-21(20)10-4-7-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,16,17)(H,18,19)