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

Systemtic Name: 3-chloranylsulfonyl-5-pentoxy-4-(phenylcarbonyl)benzoic acid Openeye Name: 4-benzoyl-3-chlorosulfonyl-5-pentoxy-benzoic acid CAS Name: 4-benzoyl-3-chlorosulfonyl-5-pentoxybenzoic acid IUPAC Name: 4-benzoyl-3-chlorosulfonyl-5-pentoxybenzoic acid Traditional Name: 3-amoxy-4-benzoyl-5-chlorosulfonyl-benzoic acid Formula: C19H19ClO6S MolecularWeight: 410.86856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)Cl)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCOC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)Cl)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H19ClO6S/c1-2-3-7-10-26-15-11-14(19(22)23)12-16(27(20,24)25)17(15)18(21)13-8-5-4-6-9-13/h4-6,8-9,11-12H,2-3,7,10H2,1H3,(H,22,23)