sodium 5-nonyl-2-[2-[2-[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]oxyethoxy]ethoxy]benzenesulfonate

Systemtic Name: sodium 5-nonyl-2-[2-[2-[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]oxyethoxy]ethoxy]benzenesulfonate Openeye Name: sodium 2-[2-[2-[(E)-4-hydroxy-4-oxo-but-2-enoyl]oxyethoxy]ethoxy]-5-nonyl-benzenesulfonate CAS Name: sodium 2-[2-[2-[(E)-4-hydroxy-1,4-dioxobut-2-enoxy]ethoxy]ethoxy]-5-nonylbenzenesulfonate IUPAC Name: sodium 2-[2-[2-[(E)-4-hydroxy-4-oxobut-2-enoyl]oxyethoxy]ethoxy]-5-nonylbenzenesulfonate Traditional Name: sodium 2-[2-[2-[(E)-4-hydroxy-4-keto-but-2-enoyl]oxyethoxy]ethoxy]-5-nonyl-besylate Formula: C23H33NaO9S MolecularWeight: 508.55749

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=C(C=C1)OCCOCCOC(=O)C=CC(=O)O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCC1=CC(=C(C=C1)OCCOCCOC(=O)/C=C/C(=O)O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C23H34O9S.Na/c1-2-3-4-5-6-7-8-9-19-10-11-20(21(18-19)33(27,28)29)31-16-14-30-15-17-32-23(26)13-12-22(24)25;/h10-13,18H,2-9,14-17H2,1H3,(H,24,25)(H,27,28,29);/q;+1/p-1/b13-12+;