3-(4-sulfonatophenyl)butanoate

Systemtic Name: 3-(4-sulfonatophenyl)butanoate Openeye Name: 3-(4-sulfonatophenyl)butanoate CAS Name: 3-(4-sulfonatophenyl)butanoate IUPAC Name: 3-(4-sulfonatophenyl)butanoate Traditional Name: 3-(4-sulfonatophenyl)butyrate Formula: C10H10O5S-2 MolecularWeight: 242.2484

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)[O-])C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC(CC(=O)[O-])C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C10H12O5S/c1-7(6-10(11)12)8-2-4-9(5-3-8)16(13,14)15/h2-5,7H,6H2,1H3,(H,11,12)(H,13,14,15)/p-2