4,6-dimethyl-5-phenoxysulfonyl-benzene-1,3-dicarboxylic acid

Systemtic Name: 4,6-dimethyl-5-phenoxysulfonyl-benzene-1,3-dicarboxylic acid Openeye Name: 4,6-dimethyl-5-phenoxysulfonyl-benzene-1,3-dicarboxylic acid CAS Name: 4,6-dimethyl-5-phenoxysulfonylbenzene-1,3-dicarboxylic acid IUPAC Name: 4,6-dimethyl-5-phenoxysulfonylbenzene-1,3-dicarboxylic acid Traditional Name: 4,6-dimethyl-5-phenoxysulfonyl-isophthalic acid Formula: C16H14O7S MolecularWeight: 350.34316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(=O)O)C(=O)O)C)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=C(C=C1C(=O)O)C(=O)O)C)S(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C16H14O7S/c1-9-12(15(17)18)8-13(16(19)20)10(2)14(9)24(21,22)23-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,17,18)(H,19,20)