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

Systemtic Name: 4-oxidanyl-2-pentoxy-5-(phenylcarbonyl)benzenesulfonic acid Openeye Name: 5-benzoyl-4-hydroxy-2-pentoxy-benzenesulfonic acid CAS Name: 5-benzoyl-4-hydroxy-2-pentoxybenzenesulfonic acid IUPAC Name: 5-benzoyl-4-hydroxy-2-pentoxybenzenesulfonic acid Traditional Name: 2-amoxy-5-benzoyl-4-hydroxy-besylic acid Formula: C18H20O6S MolecularWeight: 364.4128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

CCCCCOC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C18H20O6S/c1-2-3-7-10-24-16-12-15(19)14(11-17(16)25(21,22)23)18(20)13-8-5-4-6-9-13/h4-6,8-9,11-12,19H,2-3,7,10H2,1H3,(H,21,22,23)