phosphono 8-(4-propylphenyl)octane-1-sulfonate

Systemtic Name: phosphono 8-(4-propylphenyl)octane-1-sulfonate Openeye Name: phosphono 8-(4-propylphenyl)octane-1-sulfonate CAS Name: 8-(4-propylphenyl)-1-octanesulfonic acid IUPAC Name: phosphono 8-(4-propylphenyl)octane-1-sulfonate Traditional Name: 8-(4-propylphenyl)octane-1-sulfonic acid phosphono ester Formula: C17H29O6PS MolecularWeight: 392.447321

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)CCCCCCCCS(=O)(=O)OP(=O)(O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)CCCCCCCCS(=O)(=O)OP(=O)(O)O

InChI

InChI=1S/C17H29O6PS/c1-2-9-16-11-13-17(14-12-16)10-7-5-3-4-6-8-15-25(21,22)23-24(18,19)20/h11-14H,2-10,15H2,1H3,(H2,18,19,20)