[(E)-3-methyl-4-[5-(4-methylphenyl)sulfonyloxyoxan-2-yl]oxy-but-1-enyl]phosphonic acid

Systemtic Name: [(E)-3-methyl-4-[5-(4-methylphenyl)sulfonyloxyoxan-2-yl]oxy-but-1-enyl]phosphonic acid Openeye Name: [(E)-3-methyl-4-[5-(p-tolylsulfonyloxy)tetrahydropyran-2-yl]oxy-but-1-enyl]phosphonic acid CAS Name: [(E)-3-methyl-4-[[5-(4-methylphenyl)sulfonyloxy-2-oxanyl]oxy]but-1-enyl]phosphonic acid IUPAC Name: [(E)-3-methyl-4-[5-(4-methylphenyl)sulfonyloxyoxan-2-yl]oxybut-1-enyl]phosphonic acid Traditional Name: [(E)-3-methyl-4-(5-tosyloxytetrahydropyran-2-yl)oxy-but-1-enyl]phosphonic acid Formula: C17H25O8PS MolecularWeight: 420.414361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC(OC2)OCC(C)C=CP(=O)(O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC(OC2)OCC(C)/C=C/P(=O)(O)O

InChI

InChI=1S/C17H25O8PS/c1-13-3-6-16(7-4-13)27(21,22)25-15-5-8-17(24-12-15)23-11-14(2)9-10-26(18,19)20/h3-4,6-7,9-10,14-15,17H,5,8,11-12H2,1-2H3,(H2,18,19,20)/b10-9+