sodium tert-butylbenzene phosphate

Systemtic Name: sodium tert-butylbenzene phosphate Openeye Name: sodium tert-butylbenzene phosphate CAS Name: sodium tert-butylbenzene phosphate IUPAC Name: sodium tert-butylbenzene phosphate Traditional Name: sodium tert-butylbenzene phosphate Formula: C10H13NaO4P-3 MolecularWeight: 251.171351

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13.Na.H3O4P/c1-10(2,3)9-7-5-4-6-8-9;;1-5(2,3)4/h5-8H,1-3H3;;(H3,1,2,3,4)/q-1;+1;/p-3