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

Systemtic Name: 2-(2-methylpropoxy)-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid Openeye Name: 5-benzoyl-4-hydroxy-2-isobutoxy-benzenesulfonic acid CAS Name: 5-benzoyl-4-hydroxy-2-(2-methylpropoxy)benzenesulfonic acid IUPAC Name: 5-benzoyl-4-hydroxy-2-(2-methylpropoxy)benzenesulfonic acid Traditional Name: 5-benzoyl-4-hydroxy-2-isobutoxy-besylic acid Formula: C17H18O6S MolecularWeight: 350.38622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

CC(C)COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C17H18O6S/c1-11(2)10-23-15-9-14(18)13(8-16(15)24(20,21)22)17(19)12-6-4-3-5-7-12/h3-9,11,18H,10H2,1-2H3,(H,20,21,22)