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

Systemtic Name: 3-chloranylsulfonyl-5-(2-methylpropoxy)-4-(phenylcarbonyl)benzoic acid Openeye Name: 4-benzoyl-3-chlorosulfonyl-5-isobutoxy-benzoic acid CAS Name: 4-benzoyl-3-chlorosulfonyl-5-(2-methylpropoxy)benzoic acid IUPAC Name: 4-benzoyl-3-chlorosulfonyl-5-(2-methylpropoxy)benzoic acid Traditional Name: 4-benzoyl-3-chlorosulfonyl-5-isobutoxy-benzoic acid Formula: C18H17ClO6S MolecularWeight: 396.84198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)Cl)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)COC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)Cl)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H17ClO6S/c1-11(2)10-25-14-8-13(18(21)22)9-15(26(19,23)24)16(14)17(20)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,21,22)