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

Systemtic Name: 3-chloranylsulfonyl-5-ethoxy-4-(phenylcarbonyl)benzoic acid Openeye Name: 4-benzoyl-3-chlorosulfonyl-5-ethoxy-benzoic acid CAS Name: 4-benzoyl-3-chlorosulfonyl-5-ethoxybenzoic acid IUPAC Name: 4-benzoyl-3-chlorosulfonyl-5-ethoxybenzoic acid Traditional Name: 4-benzoyl-3-chlorosulfonyl-5-ethoxy-benzoic acid Formula: C16H13ClO6S MolecularWeight: 368.78882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)Cl)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)Cl)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H13ClO6S/c1-2-23-12-8-11(16(19)20)9-13(24(17,21)22)14(12)15(18)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,19,20)