2-[5-(phenylsulfonyl)cyclohexa-2,4-dien-1-yl]ethanoic acid

Systemtic Name: 2-[5-(phenylsulfonyl)cyclohexa-2,4-dien-1-yl]ethanoic acid Openeye Name: 2-[5-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]acetic acid CAS Name: 2-[5-(benzenesulfonyl)-1-cyclohexa-2,4-dienyl]acetic acid IUPAC Name: 2-[5-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]acetic acid Traditional Name: 2-(5-besylcyclohexa-2,4-dien-1-yl)acetic acid Formula: C14H14O4S MolecularWeight: 278.32356

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CC=C1S(=O)(=O)C2=CC=CC=C2)CC(=O)O

Isomeric SMILES

C1C(C=CC=C1S(=O)(=O)C2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C14H14O4S/c15-14(16)10-11-5-4-8-13(9-11)19(17,18)12-6-2-1-3-7-12/h1-8,11H,9-10H2,(H,15,16)