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2-[(2,4-dimethylphenyl)methylsulfanyl]butanedioic acid

2-[(2,4-dimethylphenyl)methylsulfanyl]butanedioic acid

Systemtic Name:2-[(2,4-dimethylphenyl)methylsulfanyl]butanedioic acid
Openeye Name:2-[(2,4-dimethylphenyl)methylsulfanyl]butanedioic acid
CAS Name:2-[(2,4-dimethylphenyl)methylthio]butanedioic acid
IUPAC Name:2-[(2,4-dimethylphenyl)methylsulfanyl]butanedioic acid
Traditional Name:2-[(2,4-dimethylbenzyl)thio]succinic acid
Formula: C13H16O4S
MolecularWeight: 268.32874
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CSC(CC(=O)O)C(=O)O)C


Isomeric SMILES

CC1=CC(=C(C=C1)CSC(CC(=O)O)C(=O)O)C


InChI

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


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