3-phenethylsulfonylbenzoic acid

Systemtic Name: 3-phenethylsulfonylbenzoic acid Openeye Name: 3-phenethylsulfonylbenzoic acid CAS Name: 3-phenethylsulfonylbenzoic acid IUPAC Name: 3-phenethylsulfonylbenzoic acid Traditional Name: 3-phenethylsulfonylbenzoic acid Formula: C15H14O4S MolecularWeight: 290.33426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCS(=O)(=O)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCS(=O)(=O)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C15H14O4S/c16-15(17)13-7-4-8-14(11-13)20(18,19)10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,16,17)