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4-[4-(4-carboxylatophenyl)sulfonylphenyl]sulfanylphthalate

4-[4-(4-carboxylatophenyl)sulfonylphenyl]sulfanylphthalate

Systemtic Name:4-[4-(4-carboxylatophenyl)sulfonylphenyl]sulfanylphthalate
Openeye Name:4-[4-(4-carboxylatophenyl)sulfonylphenyl]sulfanylphthalate
CAS Name:4-[[4-(4-carboxylatophenyl)sulfonylphenyl]thio]phthalate
IUPAC Name:4-[4-(4-carboxylatophenyl)sulfonylphenyl]sulfanylphthalate
Traditional Name:4-[[4-(4-carboxylatophenyl)sulfonylphenyl]thio]phthalate
Formula: C21H11O8S2-3
MolecularWeight: 455.43724
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)SC3=CC(=C(C=C3)C(=O)[O-])C(=O)[O-]


Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)SC3=CC(=C(C=C3)C(=O)[O-])C(=O)[O-]


InChI

InChI=1S/C21H14O8S2/c22-19(23)12-1-6-15(7-2-12)31(28,29)16-8-3-13(4-9-16)30-14-5-10-17(20(24)25)18(11-14)21(26)27/h1-11H,(H,22,23)(H,24,25)(H,26,27)/p-3


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