3-[2-(4-phenylphenyl)propanoyloxy]propane-1-sulfonic acid

Systemtic Name: 3-[2-(4-phenylphenyl)propanoyloxy]propane-1-sulfonic acid Openeye Name: 3-[2-(4-phenylphenyl)propanoyloxy]propane-1-sulfonic acid CAS Name: 3-[1-oxo-2-(4-phenylphenyl)propoxy]-1-propanesulfonic acid IUPAC Name: 3-[2-(4-phenylphenyl)propanoyloxy]propane-1-sulfonic acid Traditional Name: 3-[2-(4-phenylphenyl)propanoyloxy]propane-1-sulfonic acid Formula: C18H20O5S MolecularWeight: 348.4134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20O5S/c1-14(18(19)23-12-5-13-24(20,21)22)15-8-10-17(11-9-15)16-6-3-2-4-7-16/h2-4,6-11,14H,5,12-13H2,1H3,(H,20,21,22)