4-[2-(1,3-benzodioxol-5-yl)ethyl]benzenesulfonic acid

Systemtic Name: 4-[2-(1,3-benzodioxol-5-yl)ethyl]benzenesulfonic acid Openeye Name: 4-[2-(1,3-benzodioxol-5-yl)ethyl]benzenesulfonic acid CAS Name: 4-[2-(1,3-benzodioxol-5-yl)ethyl]benzenesulfonic acid IUPAC Name: 4-[2-(1,3-benzodioxol-5-yl)ethyl]benzenesulfonic acid Traditional Name: 4-homopiperonylbesylic acid Formula: C15H14O5S MolecularWeight: 306.33366

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C15H14O5S/c16-21(17,18)13-6-3-11(4-7-13)1-2-12-5-8-14-15(9-12)20-10-19-14/h3-9H,1-2,10H2,(H,16,17,18)