2-cyclohexyl-2-phenyl-2-sulfo-ethanoic acid

Systemtic Name: 2-cyclohexyl-2-phenyl-2-sulfo-ethanoic acid Openeye Name: 2-cyclohexyl-2-phenyl-2-sulfo-acetic acid CAS Name: 2-cyclohexyl-2-phenyl-2-sulfoacetic acid IUPAC Name: 2-cyclohexyl-2-phenyl-2-sulfoacetic acid Traditional Name: 2-cyclohexyl-2-phenyl-2-sulfo-acetic acid Formula: C14H18O5S MolecularWeight: 298.35472

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=CC=C2)(C(=O)O)S(=O)(=O)O

Isomeric SMILES

C1CCC(CC1)C(C2=CC=CC=C2)(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H18O5S/c15-13(16)14(20(17,18)19,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,15,16)(H,17,18,19)