4-[3,5-di(butanoyl)phenoxy]benzenesulfonic acid

Systemtic Name: 4-[3,5-di(butanoyl)phenoxy]benzenesulfonic acid Openeye Name: 4-[3,5-di(butanoyl)phenoxy]benzenesulfonic acid CAS Name: 4-[3,5-bis(1-oxobutyl)phenoxy]benzenesulfonic acid IUPAC Name: 4-[3,5-di(butanoyl)phenoxy]benzenesulfonic acid Traditional Name: 4-(3,5-dibutyrylphenoxy)besylic acid Formula: C20H22O6S MolecularWeight: 390.45008

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC(=CC(=C1)OC2=CC=C(C=C2)S(=O)(=O)O)C(=O)CCC

Isomeric SMILES

CCCC(=O)C1=CC(=CC(=C1)OC2=CC=C(C=C2)S(=O)(=O)O)C(=O)CCC

InChI

InChI=1S/C20H22O6S/c1-3-5-19(21)14-11-15(20(22)6-4-2)13-17(12-14)26-16-7-9-18(10-8-16)27(23,24)25/h7-13H,3-6H2,1-2H3,(H,23,24,25)