4-(2-sulfoethyl)cyclohexane-1-carboxylic acid

Systemtic Name: 4-(2-sulfoethyl)cyclohexane-1-carboxylic acid Openeye Name: 4-(2-sulfoethyl)cyclohexanecarboxylic acid CAS Name: 4-(2-sulfoethyl)-1-cyclohexanecarboxylic acid IUPAC Name: 4-(2-sulfoethyl)cyclohexane-1-carboxylic acid Traditional Name: 4-(2-sulfoethyl)cyclohexanecarboxylic acid Formula: C9H16O5S MolecularWeight: 236.28534

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CCS(=O)(=O)O)C(=O)O

Isomeric SMILES

C1CC(CCC1CCS(=O)(=O)O)C(=O)O

InChI

InChI=1S/C9H16O5S/c10-9(11)8-3-1-7(2-4-8)5-6-15(12,13)14/h7-8H,1-6H2,(H,10,11)(H,12,13,14)