3-chloranylsulfonyl-5-(2-ethylphenoxy)-4-(phenylcarbonyl)benzoic acid

Systemtic Name: 3-chloranylsulfonyl-5-(2-ethylphenoxy)-4-(phenylcarbonyl)benzoic acid Openeye Name: 4-benzoyl-3-chlorosulfonyl-5-(2-ethylphenoxy)benzoic acid CAS Name: 4-benzoyl-3-chlorosulfonyl-5-(2-ethylphenoxy)benzoic acid IUPAC Name: 4-benzoyl-3-chlorosulfonyl-5-(2-ethylphenoxy)benzoic acid Traditional Name: 4-benzoyl-3-chlorosulfonyl-5-(2-ethylphenoxy)benzoic acid Formula: C22H17ClO6S MolecularWeight: 444.88478

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1OC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)Cl)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=CC=C1OC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)Cl)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H17ClO6S/c1-2-14-8-6-7-11-17(14)29-18-12-16(22(25)26)13-19(30(23,27)28)20(18)21(24)15-9-4-3-5-10-15/h3-13H,2H2,1H3,(H,25,26)