(E)-4-[4-(4-pentylphenyl)phenyl]-1-phosphono-but-3-ene-1-sulfonic acid

Systemtic Name: (E)-4-[4-(4-pentylphenyl)phenyl]-1-phosphono-but-3-ene-1-sulfonic acid Openeye Name: (E)-4-[4-(4-pentylphenyl)phenyl]-1-phosphono-but-3-ene-1-sulfonic acid CAS Name: (E)-4-[4-(4-pentylphenyl)phenyl]-1-phosphono-3-butene-1-sulfonic acid IUPAC Name: (E)-4-[4-(4-pentylphenyl)phenyl]-1-phosphonobut-3-ene-1-sulfonic acid Traditional Name: (E)-4-[4-(4-amylphenyl)phenyl]-1-phosphono-but-3-ene-1-sulfonic acid Formula: C21H27O6PS MolecularWeight: 438.474241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C=CCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)/C=C/CC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C21H27O6PS/c1-2-3-4-6-17-9-13-19(14-10-17)20-15-11-18(12-16-20)7-5-8-21(28(22,23)24)29(25,26)27/h5,7,9-16,21H,2-4,6,8H2,1H3,(H2,22,23,24)(H,25,26,27)/b7-5+