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

Systemtic Name: 2-heptoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid Openeye Name: 5-benzoyl-2-heptoxy-4-hydroxy-benzenesulfonic acid CAS Name: 5-benzoyl-2-heptoxy-4-hydroxybenzenesulfonic acid IUPAC Name: 5-benzoyl-2-heptoxy-4-hydroxybenzenesulfonic acid Traditional Name: 5-benzoyl-2-heptoxy-4-hydroxy-besylic acid Formula: C20H24O6S MolecularWeight: 392.46596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

CCCCCCCOC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C20H24O6S/c1-2-3-4-5-9-12-26-18-14-17(21)16(13-19(18)27(23,24)25)20(22)15-10-7-6-8-11-15/h6-8,10-11,13-14,21H,2-5,9,12H2,1H3,(H,23,24,25)