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

Systemtic Name: (E)-6-methyl-7-(3-methylphenoxy)-1-phosphono-hept-5-ene-1-sulfonic acid Openeye Name: (E)-6-methyl-7-(3-methylphenoxy)-1-phosphono-hept-5-ene-1-sulfonic acid CAS Name: (E)-6-methyl-7-(3-methylphenoxy)-1-phosphono-5-heptene-1-sulfonic acid IUPAC Name: (E)-6-methyl-7-(3-methylphenoxy)-1-phosphonohept-5-ene-1-sulfonic acid Traditional Name: (E)-6-methyl-7-(3-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=C1)OCC(=CCCCC(P(=O)(O)O)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=CC=C1)OC/C(=C/CCCC(P(=O)(O)O)S(=O)(=O)O)/C

InChI

InChI=1S/C15H23O7PS/c1-12-7-5-8-14(10-12)22-11-13(2)6-3-4-9-15(23(16,17)18)24(19,20)21/h5-8,10,15H,3-4,9,11H2,1-2H3,(H2,16,17,18)(H,19,20,21)/b13-6+