(E)-6-methyl-1-phosphono-7-(3-propylphenoxy)hept-5-ene-1-sulfonic acid

Systemtic Name: (E)-6-methyl-1-phosphono-7-(3-propylphenoxy)hept-5-ene-1-sulfonic acid Openeye Name: (E)-6-methyl-1-phosphono-7-(3-propylphenoxy)hept-5-ene-1-sulfonic acid CAS Name: (E)-6-methyl-1-phosphono-7-(3-propylphenoxy)-5-heptene-1-sulfonic acid IUPAC Name: (E)-6-methyl-1-phosphono-7-(3-propylphenoxy)hept-5-ene-1-sulfonic acid Traditional Name: (E)-6-methyl-1-phosphono-7-(3-propylphenoxy)hept-5-ene-1-sulfonic acid Formula: C17H27O7PS MolecularWeight: 406.430841

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC=C1)OCC(=CCCCC(P(=O)(O)O)S(=O)(=O)O)C

Isomeric SMILES

CCCC1=CC(=CC=C1)OC/C(=C/CCCC(P(=O)(O)O)S(=O)(=O)O)/C

InChI

InChI=1S/C17H27O7PS/c1-3-7-15-9-6-10-16(12-15)24-13-14(2)8-4-5-11-17(25(18,19)20)26(21,22)23/h6,8-10,12,17H,3-5,7,11,13H2,1-2H3,(H2,18,19,20)(H,21,22,23)/b14-8+