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3-propylsulfanylphthalic acid

3-propylsulfanylphthalic acid

Systemtic Name:3-propylsulfanylphthalic acid
Openeye Name:3-propylsulfanylphthalic acid
CAS Name:3-(propylthio)phthalic acid
IUPAC Name:3-propylsulfanylphthalic acid
Traditional Name:3-(propylthio)phthalic acid
Formula: C11H12O4S
MolecularWeight: 240.27558
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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=CC(=C1C(=O)O)C(=O)O


Isomeric SMILES

CCCSC1=CC=CC(=C1C(=O)O)C(=O)O


InChI

InChI=1S/C11H12O4S/c1-2-6-16-8-5-3-4-7(10(12)13)9(8)11(14)15/h3-5H,2,6H2,1H3,(H,12,13)(H,14,15)


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