2,2-dimethyl-4-(4-sulfophenyl)hexanoic acid

Systemtic Name: 2,2-dimethyl-4-(4-sulfophenyl)hexanoic acid Openeye Name: 2,2-dimethyl-4-(4-sulfophenyl)hexanoic acid CAS Name: 2,2-dimethyl-4-(4-sulfophenyl)hexanoic acid IUPAC Name: 2,2-dimethyl-4-(4-sulfophenyl)hexanoic acid Traditional Name: 2,2-dimethyl-4-(4-sulfophenyl)hexanoic acid Formula: C14H20O5S MolecularWeight: 300.3706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O5S/c1-4-10(9-14(2,3)13(15)16)11-5-7-12(8-6-11)20(17,18)19/h5-8,10H,4,9H2,1-3H3,(H,15,16)(H,17,18,19)