sodium 2-[4-(2,6-dimethylheptan-4-yl)phenoxy]ethyl sulfate

Systemtic Name: sodium 2-[4-(2,6-dimethylheptan-4-yl)phenoxy]ethyl sulfate Openeye Name: sodium 2-[4-(1-isobutyl-3-methyl-butyl)phenoxy]ethyl sulfate CAS Name: sodium 2-[4-(2,6-dimethylheptan-4-yl)phenoxy]ethyl sulfate IUPAC Name: sodium 2-[4-(2,6-dimethylheptan-4-yl)phenoxy]ethyl sulfate Traditional Name: sodium 2-[4-(1-isobutyl-3-methyl-butyl)phenoxy]ethyl sulfate Formula: C17H27NaO5S MolecularWeight: 366.44805

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C)C)C1=CC=C(C=C1)OCCOS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(C)CC(CC(C)C)C1=CC=C(C=C1)OCCOS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C17H28O5S.Na/c1-13(2)11-16(12-14(3)4)15-5-7-17(8-6-15)21-9-10-22-23(18,19)20;/h5-8,13-14,16H,9-12H2,1-4H3,(H,18,19,20);/q;+1/p-1