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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

CC(C)CCCOC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C19H22O6S/c1-13(2)7-6-10-25-17-12-16(20)15(11-18(17)26(22,23)24)19(21)14-8-4-3-5-9-14/h3-5,8-9,11-13,20H,6-7,10H2,1-2H3,(H,22,23,24)