5-ethylsulfanyl-3-methyl-phthalic acid

Systemtic Name: 5-ethylsulfanyl-3-methyl-phthalic acid Openeye Name: 5-ethylsulfanyl-3-methyl-phthalic acid CAS Name: 5-(ethylthio)-3-methylphthalic acid IUPAC Name: 5-ethylsulfanyl-3-methylphthalic acid Traditional Name: 5-(ethylthio)-3-methyl-phthalic acid Formula: C11H12O4S MolecularWeight: 240.27558

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=C(C(=C1)C(=O)O)C(=O)O)C

Isomeric SMILES

CCSC1=CC(=C(C(=C1)C(=O)O)C(=O)O)C

InChI

InChI=1S/C11H12O4S/c1-3-16-7-4-6(2)9(11(14)15)8(5-7)10(12)13/h4-5H,3H2,1-2H3,(H,12,13)(H,14,15)