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

Systemtic Name: 3-chloranylsulfonyl-5-hexoxy-4-(phenylcarbonyl)benzoic acid Openeye Name: 4-benzoyl-3-chlorosulfonyl-5-hexoxy-benzoic acid CAS Name: 4-benzoyl-3-chlorosulfonyl-5-hexoxybenzoic acid IUPAC Name: 4-benzoyl-3-chlorosulfonyl-5-hexoxybenzoic acid Traditional Name: 4-benzoyl-3-chlorosulfonyl-5-hexoxy-benzoic acid Formula: C20H21ClO6S MolecularWeight: 424.89514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)Cl)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCOC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)Cl)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H21ClO6S/c1-2-3-4-8-11-27-16-12-15(20(23)24)13-17(28(21,25)26)18(16)19(22)14-9-6-5-7-10-14/h5-7,9-10,12-13H,2-4,8,11H2,1H3,(H,23,24)