(Z)-6-methyl-1-phosphono-8-pyridin-2-yl-oct-5-ene-1-sulfonic acid

Systemtic Name: (Z)-6-methyl-1-phosphono-8-pyridin-2-yl-oct-5-ene-1-sulfonic acid Openeye Name: (Z)-6-methyl-1-phosphono-8-(2-pyridyl)oct-5-ene-1-sulfonic acid CAS Name: (Z)-6-methyl-1-phosphono-8-(2-pyridinyl)-5-octene-1-sulfonic acid IUPAC Name: (Z)-6-methyl-1-phosphono-8-pyridin-2-yloct-5-ene-1-sulfonic acid Traditional Name: (Z)-6-methyl-1-phosphono-8-(2-pyridyl)oct-5-ene-1-sulfonic acid Formula: C14H22NO6PS MolecularWeight: 363.366341

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCCC(P(=O)(O)O)S(=O)(=O)O)CCC1=CC=CC=N1

Isomeric SMILES

C/C(=C/CCCC(P(=O)(O)O)S(=O)(=O)O)/CCC1=CC=CC=N1

InChI

InChI=1S/C14H22NO6PS/c1-12(9-10-13-7-4-5-11-15-13)6-2-3-8-14(22(16,17)18)23(19,20)21/h4-7,11,14H,2-3,8-10H2,1H3,(H2,16,17,18)(H,19,20,21)/b12-6-