propane; 3-(3-sulfophenyl)phosphanylbenzenesulfonic acid

Systemtic Name: propane; 3-(3-sulfophenyl)phosphanylbenzenesulfonic acid Openeye Name: propane; 3-(3-sulfophenyl)phosphanylbenzenesulfonic acid CAS Name: propane; 3-(3-sulfophenyl)phosphinobenzenesulfonic acid IUPAC Name: propane; 3-(3-sulfophenyl)phosphanylbenzenesulfonic acid Traditional Name: n-propane; 3-(3-sulfophenyl)phosphinobesylic acid Formula: C15H19O6PS2 MolecularWeight: 390.411521

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Descriptors Computed from Structure

Canonical SMILES:

CCC.C1=CC(=CC(=C1)S(=O)(=O)O)PC2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

CCC.C1=CC(=CC(=C1)S(=O)(=O)O)PC2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C12H11O6PS2.C3H8/c13-20(14,15)11-5-1-3-9(7-11)19-10-4-2-6-12(8-10)21(16,17)18;1-3-2/h1-8,19H,(H,13,14,15)(H,16,17,18);3H2,1-2H3