4-(3,4-dimethyl-2-sulfanyl-phenoxy)sulfonylphthalic acid

Systemtic Name: 4-(3,4-dimethyl-2-sulfanyl-phenoxy)sulfonylphthalic acid Openeye Name: 4-(3,4-dimethyl-2-sulfanyl-phenoxy)sulfonylphthalic acid CAS Name: 4-(2-mercapto-3,4-dimethylphenoxy)sulfonylphthalic acid IUPAC Name: 4-(3,4-dimethyl-2-sulfanylphenoxy)sulfonylphthalic acid Traditional Name: 4-(2-mercapto-3,4-dimethyl-phenoxy)sulfonylphthalic acid Formula: C16H14O7S2 MolecularWeight: 382.40816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O)S)C

Isomeric SMILES

CC1=C(C(=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O)S)C

InChI

InChI=1S/C16H14O7S2/c1-8-3-6-13(14(24)9(8)2)23-25(21,22)10-4-5-11(15(17)18)12(7-10)16(19)20/h3-7,24H,1-2H3,(H,17,18)(H,19,20)