sodium 2-phenoxydecan-1-ol sulfate

Systemtic Name: sodium 2-phenoxydecan-1-ol sulfate Openeye Name: sodium 2-phenoxydecan-1-ol sulfate CAS Name: sodium 2-phenoxy-1-decanol sulfate IUPAC Name: sodium 2-phenoxydecan-1-ol sulfate Traditional Name: sodium 2-phenoxydecan-1-ol sulfate Formula: C16H26NaO6S- MolecularWeight: 369.42881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CO)OC1=CC=CC=C1.[O-]S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCC(CO)OC1=CC=CC=C1.[O-]S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H26O2.Na.H2O4S/c1-2-3-4-5-6-8-13-16(14-17)18-15-11-9-7-10-12-15;;1-5(2,3)4/h7,9-12,16-17H,2-6,8,13-14H2,1H3;;(H2,1,2,3,4)/q;+1;/p-2