2-hexoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid

Systemtic Name: 2-hexoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid Openeye Name: 5-benzoyl-2-hexoxy-4-hydroxy-benzenesulfonic acid CAS Name: 5-benzoyl-2-hexoxy-4-hydroxybenzenesulfonic acid IUPAC Name: 5-benzoyl-2-hexoxy-4-hydroxybenzenesulfonic acid Traditional Name: 5-benzoyl-2-hexoxy-4-hydroxy-besylic acid Formula: C19H22O6S MolecularWeight: 378.43938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

CCCCCCOC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C19H22O6S/c1-2-3-4-8-11-25-17-13-16(20)15(12-18(17)26(22,23)24)19(21)14-9-6-5-7-10-14/h5-7,9-10,12-13,20H,2-4,8,11H2,1H3,(H,22,23,24)