2-(4-sulfophenyl)sulfanylpentanoic acid

Systemtic Name: 2-(4-sulfophenyl)sulfanylpentanoic acid Openeye Name: 2-(4-sulfophenyl)sulfanylpentanoic acid CAS Name: 2-[(4-sulfophenyl)thio]pentanoic acid IUPAC Name: 2-(4-sulfophenyl)sulfanylpentanoic acid Traditional Name: 2-[(4-sulfophenyl)thio]valeric acid Formula: C11H14O5S2 MolecularWeight: 290.35586

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)SC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCC(C(=O)O)SC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C11H14O5S2/c1-2-3-10(11(12)13)17-8-4-6-9(7-5-8)18(14,15)16/h4-7,10H,2-3H2,1H3,(H,12,13)(H,14,15,16)