sodium 2-dodecoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonate

Systemtic Name: sodium 2-dodecoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonate Openeye Name: sodium 5-benzoyl-2-dodecoxy-4-hydroxy-benzenesulfonate CAS Name: sodium 5-benzoyl-2-dodecoxy-4-hydroxybenzenesulfonate IUPAC Name: sodium 5-benzoyl-2-dodecoxy-4-hydroxybenzenesulfonate Traditional Name: sodium 5-benzoyl-4-hydroxy-2-lauryloxy-besylate Formula: C25H33NaO6S MolecularWeight: 484.58069

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C25H34O6S.Na/c1-2-3-4-5-6-7-8-9-10-14-17-31-23-19-22(26)21(18-24(23)32(28,29)30)25(27)20-15-12-11-13-16-20;/h11-13,15-16,18-19,26H,2-10,14,17H2,1H3,(H,28,29,30);/q;+1/p-1