sodium 3-[2-(4-phenylphenyl)propanoyloxy]propane-1-sulfonate

Systemtic Name: sodium 3-[2-(4-phenylphenyl)propanoyloxy]propane-1-sulfonate Openeye Name: sodium 3-[2-(4-phenylphenyl)propanoyloxy]propane-1-sulfonate CAS Name: sodium 3-[1-oxo-2-(4-phenylphenyl)propoxy]-1-propanesulfonate IUPAC Name: sodium 3-[2-(4-phenylphenyl)propanoyloxy]propane-1-sulfonate Traditional Name: sodium 3-[2-(4-phenylphenyl)propanoyloxy]propane-1-sulfonate Formula: C18H19NaO5S MolecularWeight: 370.39523

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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-].[Na+]

Isomeric SMILES

CC(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)OCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H20O5S.Na/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);/q;+1/p-1