3,3-dimethyl-1-(2-phenoxyethoxy)octane-2-sulfonic acid

Systemtic Name: 3,3-dimethyl-1-(2-phenoxyethoxy)octane-2-sulfonic acid Openeye Name: 3,3-dimethyl-1-(2-phenoxyethoxy)octane-2-sulfonic acid CAS Name: 3,3-dimethyl-1-(2-phenoxyethoxy)-2-octanesulfonic acid IUPAC Name: 3,3-dimethyl-1-(2-phenoxyethoxy)octane-2-sulfonic acid Traditional Name: 3,3-dimethyl-1-(2-phenoxyethoxy)octane-2-sulfonic acid Formula: C18H30O5S MolecularWeight: 358.4928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C(COCCOC1=CC=CC=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCC(C)(C)C(COCCOC1=CC=CC=C1)S(=O)(=O)O

InChI

InChI=1S/C18H30O5S/c1-4-5-9-12-18(2,3)17(24(19,20)21)15-22-13-14-23-16-10-7-6-8-11-16/h6-8,10-11,17H,4-5,9,12-15H2,1-3H3,(H,19,20,21)