(E)-4-[2-[2-(4-nonyl-2-sulfo-phenoxy)ethoxy]ethoxy]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[2-[2-(4-nonyl-2-sulfo-phenoxy)ethoxy]ethoxy]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[2-[2-(4-nonyl-2-sulfo-phenoxy)ethoxy]ethoxy]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[2-[2-(4-nonyl-2-sulfophenoxy)ethoxy]ethoxy]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[2-[2-(4-nonyl-2-sulfophenoxy)ethoxy]ethoxy]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[2-[2-(4-nonyl-2-sulfo-phenoxy)ethoxy]ethoxy]but-2-enoic acid Formula: C23H34O9S MolecularWeight: 486.57566

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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

Isomeric SMILES

CCCCCCCCCC1=CC(=C(C=C1)OCCOCCOC(=O)/C=C/C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C23H34O9S/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)/b13-12+