5-(1-phenylethylsulfonyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(1-phenylethylsulfonyl)benzene-1,3-dicarboxylic acid Openeye Name: 5-(1-phenylethylsulfonyl)benzene-1,3-dicarboxylic acid CAS Name: 5-(1-phenylethylsulfonyl)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(1-phenylethylsulfonyl)benzene-1,3-dicarboxylic acid Traditional Name: 5-(1-phenylethylsulfonyl)isophthalic acid Formula: C16H14O6S MolecularWeight: 334.34376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14O6S/c1-10(11-5-3-2-4-6-11)23(21,22)14-8-12(15(17)18)7-13(9-14)16(19)20/h2-10H,1H3,(H,17,18)(H,19,20)