sodium 4-nonanoyloxybenzenesulfonate

Systemtic Name: sodium 4-nonanoyloxybenzenesulfonate Openeye Name: sodium 4-nonanoyloxybenzenesulfonate CAS Name: sodium 4-(1-oxononoxy)benzenesulfonate IUPAC Name: sodium 4-nonanoyloxybenzenesulfonate Traditional Name: sodium 4-pelargonyloxybesylate Formula: C15H21NaO5S MolecularWeight: 336.37901

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O5S.Na/c1-2-3-4-5-6-7-8-15(16)20-13-9-11-14(12-10-13)21(17,18)19;/h9-12H,2-8H2,1H3,(H,17,18,19);/q;+1/p-1