5-phenethylsulfonylbenzene-1,3-dicarboxylic acid

Systemtic Name: 5-phenethylsulfonylbenzene-1,3-dicarboxylic acid Openeye Name: 5-phenethylsulfonylbenzene-1,3-dicarboxylic acid CAS Name: 5-phenethylsulfonylbenzene-1,3-dicarboxylic acid IUPAC Name: 5-phenethylsulfonylbenzene-1,3-dicarboxylic acid Traditional Name: 5-phenethylsulfonylisophthalic acid Formula: C16H14O6S MolecularWeight: 334.34376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCS(=O)(=O)C2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCS(=O)(=O)C2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H14O6S/c17-15(18)12-8-13(16(19)20)10-14(9-12)23(21,22)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,17,18)(H,19,20)