1-phenyl-4-phosphono-undecane-4-sulfonic acid

Systemtic Name: 1-phenyl-4-phosphono-undecane-4-sulfonic acid Openeye Name: 1-phenyl-4-phosphono-undecane-4-sulfonic acid CAS Name: 1-phenyl-4-phosphono-4-undecanesulfonic acid IUPAC Name: 1-phenyl-4-phosphonoundecane-4-sulfonic acid Traditional Name: 1-phenyl-4-phosphono-undecane-4-sulfonic acid Formula: C17H29O6PS MolecularWeight: 392.447321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CCCC1=CC=CC=C1)(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCC(CCCC1=CC=CC=C1)(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C17H29O6PS/c1-2-3-4-5-9-14-17(24(18,19)20,25(21,22)23)15-10-13-16-11-7-6-8-12-16/h6-8,11-12H,2-5,9-10,13-15H2,1H3,(H2,18,19,20)(H,21,22,23)