2-(2-phenyl-1-sulfanyl-butoxy)pentanedioic acid

Systemtic Name: 2-(2-phenyl-1-sulfanyl-butoxy)pentanedioic acid Openeye Name: 2-(2-phenyl-1-sulfanyl-butoxy)pentanedioic acid CAS Name: 2-(1-mercapto-2-phenylbutoxy)pentanedioic acid IUPAC Name: 2-(2-phenyl-1-sulfanylbutoxy)pentanedioic acid Traditional Name: 2-(1-mercapto-2-phenyl-butoxy)glutaric acid Formula: C15H20O5S MolecularWeight: 312.3813

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(OC(CCC(=O)O)C(=O)O)S

Isomeric SMILES

CCC(C1=CC=CC=C1)C(OC(CCC(=O)O)C(=O)O)S

InChI

InChI=1S/C15H20O5S/c1-2-11(10-6-4-3-5-7-10)15(21)20-12(14(18)19)8-9-13(16)17/h3-7,11-12,15,21H,2,8-9H2,1H3,(H,16,17)(H,18,19)