(E)-6-methyl-7-(2-methylphenoxy)-1-phosphono-hept-5-ene-1-sulfonic acid

Systemtic Name: (E)-6-methyl-7-(2-methylphenoxy)-1-phosphono-hept-5-ene-1-sulfonic acid Openeye Name: (E)-6-methyl-7-(2-methylphenoxy)-1-phosphono-hept-5-ene-1-sulfonic acid CAS Name: (E)-6-methyl-7-(2-methylphenoxy)-1-phosphono-5-heptene-1-sulfonic acid IUPAC Name: (E)-6-methyl-7-(2-methylphenoxy)-1-phosphonohept-5-ene-1-sulfonic acid Traditional Name: (E)-6-methyl-7-(2-methylphenoxy)-1-phosphono-hept-5-ene-1-sulfonic acid Formula: C15H23O7PS MolecularWeight: 378.377681

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=CCCCC(P(=O)(O)O)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC=CC=C1OC/C(=C/CCCC(P(=O)(O)O)S(=O)(=O)O)/C

InChI

InChI=1S/C15H23O7PS/c1-12(11-22-14-9-5-4-8-13(14)2)7-3-6-10-15(23(16,17)18)24(19,20)21/h4-5,7-9,15H,3,6,10-11H2,1-2H3,(H2,16,17,18)(H,19,20,21)/b12-7+