sodium 3-hexoxycarbonylpentanoyl sulfate

Systemtic Name: sodium 3-hexoxycarbonylpentanoyl sulfate Openeye Name: sodium 3-hexoxycarbonylpentanoyl sulfate CAS Name: sodium [3-[hexoxy(oxo)methyl]-1-oxopentyl] sulfate IUPAC Name: sodium 3-hexoxycarbonylpentanoyl sulfate Traditional Name: sodium 3-hexoxycarbonylpentanoyl sulfate Formula: C12H21NaO7S MolecularWeight: 332.34571

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(CC)CC(=O)OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCOC(=O)C(CC)CC(=O)OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H22O7S.Na/c1-3-5-6-7-8-18-12(14)10(4-2)9-11(13)19-20(15,16)17;/h10H,3-9H2,1-2H3,(H,15,16,17);/q;+1/p-1