6-(3,5-dimethyl-2-sulfo-phenyl)hexanoic acid

Systemtic Name: 6-(3,5-dimethyl-2-sulfo-phenyl)hexanoic acid Openeye Name: 6-(3,5-dimethyl-2-sulfo-phenyl)hexanoic acid CAS Name: 6-(3,5-dimethyl-2-sulfophenyl)hexanoic acid IUPAC Name: 6-(3,5-dimethyl-2-sulfophenyl)hexanoic acid Traditional Name: 6-(3,5-dimethyl-2-sulfo-phenyl)hexanoic acid Formula: C14H20O5S MolecularWeight: 300.3706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CCCCCC(=O)O)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)CCCCCC(=O)O)S(=O)(=O)O)C

InChI

InChI=1S/C14H20O5S/c1-10-8-11(2)14(20(17,18)19)12(9-10)6-4-3-5-7-13(15)16/h8-9H,3-7H2,1-2H3,(H,15,16)(H,17,18,19)