[(E)-5-(4-methylphenyl)sulfonyloxy-3-(oxan-2-yloxymethyl)pent-1-enyl]phosphonic acid

Systemtic Name: [(E)-5-(4-methylphenyl)sulfonyloxy-3-(oxan-2-yloxymethyl)pent-1-enyl]phosphonic acid Openeye Name: [(E)-5-(p-tolylsulfonyloxy)-3-(tetrahydropyran-2-yloxymethyl)pent-1-enyl]phosphonic acid CAS Name: [(E)-5-(4-methylphenyl)sulfonyloxy-3-(2-oxanyloxymethyl)pent-1-enyl]phosphonic acid IUPAC Name: [(E)-5-(4-methylphenyl)sulfonyloxy-3-(oxan-2-yloxymethyl)pent-1-enyl]phosphonic acid Traditional Name: [(E)-3-(tetrahydropyran-2-yloxymethyl)-5-tosyloxy-pent-1-enyl]phosphonic acid Formula: C18H27O8PS MolecularWeight: 434.440941

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(COC2CCCCO2)C=CP(=O)(O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(COC2CCCCO2)/C=C/P(=O)(O)O

InChI

InChI=1S/C18H27O8PS/c1-15-5-7-17(8-6-15)28(22,23)26-12-9-16(10-13-27(19,20)21)14-25-18-4-2-3-11-24-18/h5-8,10,13,16,18H,2-4,9,11-12,14H2,1H3,(H2,19,20,21)/b13-10+