sodium 2-(4-hexoxyphenyl)carbonyloxybenzenesulfonate

Systemtic Name: sodium 2-(4-hexoxyphenyl)carbonyloxybenzenesulfonate Openeye Name: sodium 2-(4-hexoxybenzoyl)oxybenzenesulfonate CAS Name: sodium 2-[(4-hexoxyphenyl)-oxomethoxy]benzenesulfonate IUPAC Name: sodium 2-(4-hexoxybenzoyl)oxybenzenesulfonate Traditional Name: sodium 2-(4-hexoxybenzoyl)oxybesylate Formula: C19H21NaO6S MolecularWeight: 400.42121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C19H22O6S.Na/c1-2-3-4-7-14-24-16-12-10-15(11-13-16)19(20)25-17-8-5-6-9-18(17)26(21,22)23;/h5-6,8-13H,2-4,7,14H2,1H3,(H,21,22,23);/q;+1/p-1