4-[4-(2-hydroxyethyloxy)-4-oxidanylidene-butoxy]benzenesulfonic acid

Systemtic Name: 4-[4-(2-hydroxyethyloxy)-4-oxidanylidene-butoxy]benzenesulfonic acid Openeye Name: 4-[4-(2-hydroxyethoxy)-4-oxo-butoxy]benzenesulfonic acid CAS Name: 4-[4-(2-hydroxyethoxy)-4-oxobutoxy]benzenesulfonic acid IUPAC Name: 4-[4-(2-hydroxyethoxy)-4-oxobutoxy]benzenesulfonic acid Traditional Name: 4-[4-(2-hydroxyethoxy)-4-keto-butoxy]besylic acid Formula: C12H16O7S MolecularWeight: 304.31624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCCC(=O)OCCO)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1OCCCC(=O)OCCO)S(=O)(=O)O

InChI

InChI=1S/C12H16O7S/c13-7-9-19-12(14)2-1-8-18-10-3-5-11(6-4-10)20(15,16)17/h3-6,13H,1-2,7-9H2,(H,15,16,17)