2-[(4-ethylphenyl)methylsulfanyl]butanedioic acid

Systemtic Name: 2-[(4-ethylphenyl)methylsulfanyl]butanedioic acid Openeye Name: 2-[(4-ethylphenyl)methylsulfanyl]butanedioic acid CAS Name: 2-[(4-ethylphenyl)methylthio]butanedioic acid IUPAC Name: 2-[(4-ethylphenyl)methylsulfanyl]butanedioic acid Traditional Name: 2-[(4-ethylbenzyl)thio]succinic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CSC(CC(=O)O)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CSC(CC(=O)O)C(=O)O

InChI

InChI=1S/C13H16O4S/c1-2-9-3-5-10(6-4-9)8-18-11(13(16)17)7-12(14)15/h3-6,11H,2,7-8H2,1H3,(H,14,15)(H,16,17)