2-[4-chloranylsulfonyl-2-[2-ethoxy-2-oxidanylidene-1-(phenylsulfonyl)ethoxy]phenoxy]ethanoic acid

Systemtic Name: 2-[4-chloranylsulfonyl-2-[2-ethoxy-2-oxidanylidene-1-(phenylsulfonyl)ethoxy]phenoxy]ethanoic acid Openeye Name: 2-[2-[1-(benzenesulfonyl)-2-ethoxy-2-oxo-ethoxy]-4-chlorosulfonyl-phenoxy]acetic acid CAS Name: 2-[2-[1-(benzenesulfonyl)-2-ethoxy-2-oxoethoxy]-4-chlorosulfonylphenoxy]acetic acid IUPAC Name: 2-[2-[1-(benzenesulfonyl)-2-ethoxy-2-oxoethoxy]-4-chlorosulfonylphenoxy]acetic acid Traditional Name: 2-[2-(1-besyl-2-ethoxy-2-keto-ethoxy)-4-chlorosulfonyl-phenoxy]acetic acid Formula: C18H17ClO10S2 MolecularWeight: 492.90458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(OC1=C(C=CC(=C1)S(=O)(=O)Cl)OCC(=O)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(OC1=C(C=CC(=C1)S(=O)(=O)Cl)OCC(=O)O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H17ClO10S2/c1-2-27-17(22)18(30(23,24)12-6-4-3-5-7-12)29-15-10-13(31(19,25)26)8-9-14(15)28-11-16(20)21/h3-10,18H,2,11H2,1H3,(H,20,21)