3-chloranylsulfonyl-5-phenethyl-4-(phenylcarbonyl)benzoic acid

Systemtic Name: 3-chloranylsulfonyl-5-phenethyl-4-(phenylcarbonyl)benzoic acid Openeye Name: 4-benzoyl-3-chlorosulfonyl-5-phenethyl-benzoic acid CAS Name: 4-benzoyl-3-chlorosulfonyl-5-phenethylbenzoic acid IUPAC Name: 4-benzoyl-3-chlorosulfonyl-5-phenethylbenzoic acid Traditional Name: 4-benzoyl-3-chlorosulfonyl-5-phenethyl-benzoic acid Formula: C22H17ClO5S MolecularWeight: 428.88538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)Cl)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)Cl)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H17ClO5S/c23-29(27,28)19-14-18(22(25)26)13-17(12-11-15-7-3-1-4-8-15)20(19)21(24)16-9-5-2-6-10-16/h1-10,13-14H,11-12H2,(H,25,26)