2-(3-methylheptoxy)-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid

Systemtic Name: 2-(3-methylheptoxy)-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid Openeye Name: 5-benzoyl-4-hydroxy-2-(3-methylheptoxy)benzenesulfonic acid CAS Name: 5-benzoyl-4-hydroxy-2-(3-methylheptoxy)benzenesulfonic acid IUPAC Name: 5-benzoyl-4-hydroxy-2-(3-methylheptoxy)benzenesulfonic acid Traditional Name: 5-benzoyl-4-hydroxy-2-(3-methylheptoxy)besylic acid Formula: C21H26O6S MolecularWeight: 406.49254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CCOC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

CCCCC(C)CCOC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C21H26O6S/c1-3-4-8-15(2)11-12-27-19-14-18(22)17(13-20(19)28(24,25)26)21(23)16-9-6-5-7-10-16/h5-7,9-10,13-15,22H,3-4,8,11-12H2,1-2H3,(H,24,25,26)