3-(2-carboxyethylsulfanyl)propanoic acid; 1,4-dimethylbenzene

Systemtic Name: 3-(2-carboxyethylsulfanyl)propanoic acid; 1,4-dimethylbenzene Openeye Name: 3-(2-carboxyethylsulfanyl)propanoic acid; p-xylene CAS Name: 3-(2-carboxyethylthio)propanoic acid; 1,4-xylene IUPAC Name: 3-(2-carboxyethylsulfanyl)propanoic acid; 1,4-xylene Traditional Name: 3-(2-carboxyethylthio)propionic acid; p-xylene Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C.C(CSCCC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C.C(CSCCC(=O)O)C(=O)O

InChI

InChI=1S/C8H10.C6H10O4S/c1-7-3-5-8(2)6-4-7;7-5(8)1-3-11-4-2-6(9)10/h3-6H,1-2H3;1-4H2,(H,7,8)(H,9,10)