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

Systemtic Name: 2-nonoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid Openeye Name: 5-benzoyl-4-hydroxy-2-nonoxy-benzenesulfonic acid CAS Name: 5-benzoyl-4-hydroxy-2-nonoxybenzenesulfonic acid IUPAC Name: 5-benzoyl-4-hydroxy-2-nonoxybenzenesulfonic acid Traditional Name: 5-benzoyl-4-hydroxy-2-nonoxy-besylic acid Formula: C22H28O6S MolecularWeight: 420.51912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCOC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C22H28O6S/c1-2-3-4-5-6-7-11-14-28-20-16-19(23)18(15-21(20)29(25,26)27)22(24)17-12-9-8-10-13-17/h8-10,12-13,15-16,23H,2-7,11,14H2,1H3,(H,25,26,27)