3-butoxy-5-chloranylsulfonyl-4-(4-methylphenyl)carbonyl-benzoic acid

Systemtic Name: 3-butoxy-5-chloranylsulfonyl-4-(4-methylphenyl)carbonyl-benzoic acid Openeye Name: 3-butoxy-5-chlorosulfonyl-4-(4-methylbenzoyl)benzoic acid CAS Name: 3-butoxy-5-chlorosulfonyl-4-[(4-methylphenyl)-oxomethyl]benzoic acid IUPAC Name: 3-butoxy-5-chlorosulfonyl-4-(4-methylbenzoyl)benzoic acid Traditional Name: 3-butoxy-5-chlorosulfonyl-4-p-toluoyl-benzoic acid Formula: C19H19ClO6S MolecularWeight: 410.86856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)Cl)C(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCOC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)Cl)C(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H19ClO6S/c1-3-4-9-26-15-10-14(19(22)23)11-16(27(20,24)25)17(15)18(21)13-7-5-12(2)6-8-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,22,23)