1,1-diethoxy-3,3-dimethyl-2-phenoxy-octane-1-sulfonate

Systemtic Name: 1,1-diethoxy-3,3-dimethyl-2-phenoxy-octane-1-sulfonate Openeye Name: 1,1-diethoxy-3,3-dimethyl-2-phenoxy-octane-1-sulfonate CAS Name: 1,1-diethoxy-3,3-dimethyl-2-phenoxy-1-octanesulfonate IUPAC Name: 1,1-diethoxy-3,3-dimethyl-2-phenoxyoctane-1-sulfonate Traditional Name: 1,1-diethoxy-3,3-dimethyl-2-phenoxy-octane-1-sulfonate Formula: C20H33O6S- MolecularWeight: 401.53742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C(C(OCC)(OCC)S(=O)(=O)[O-])OC1=CC=CC=C1

Isomeric SMILES

CCCCCC(C)(C)C(C(OCC)(OCC)S(=O)(=O)[O-])OC1=CC=CC=C1

InChI

InChI=1S/C20H34O6S/c1-6-9-13-16-19(4,5)18(26-17-14-11-10-12-15-17)20(24-7-2,25-8-3)27(21,22)23/h10-12,14-15,18H,6-9,13,16H2,1-5H3,(H,21,22,23)/p-1