3-butoxy-5-chloranylsulfonyl-4-phenyl-benzoic acid

Systemtic Name: 3-butoxy-5-chloranylsulfonyl-4-phenyl-benzoic acid Openeye Name: 3-butoxy-5-chlorosulfonyl-4-phenyl-benzoic acid CAS Name: 3-butoxy-5-chlorosulfonyl-4-phenylbenzoic acid IUPAC Name: 3-butoxy-5-chlorosulfonyl-4-phenylbenzoic acid Traditional Name: 3-butoxy-5-chlorosulfonyl-4-phenyl-benzoic acid Formula: C17H17ClO5S MolecularWeight: 368.83188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClO5S/c1-2-3-9-23-14-10-13(17(19)20)11-15(24(18,21)22)16(14)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3,(H,19,20)