diethyl (2E,4R,5R,6E)-4-(4-methylphenyl)sulfonyloxy-5-oxidanyl-octa-2,6-dienedioate

Systemtic Name: diethyl (2E,4R,5R,6E)-4-(4-methylphenyl)sulfonyloxy-5-oxidanyl-octa-2,6-dienedioate Openeye Name: diethyl (2E,4R,5R,6E)-4-hydroxy-5-(p-tolylsulfonyloxy)octa-2,6-dienedioate CAS Name: (2E,4R,5R,6E)-4-hydroxy-5-(4-methylphenyl)sulfonyloxyocta-2,6-dienedioic acid diethyl ester IUPAC Name: diethyl (2E,4R,5R,6E)-4-hydroxy-5-(4-methylphenyl)sulfonyloxyocta-2,6-dienedioate Traditional Name: (2E,4R,5R,6E)-4-hydroxy-5-tosyloxy-octa-2,6-dienedioic acid diethyl ester Formula: C19H24O8S MolecularWeight: 412.45406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(C(C=CC(=O)OCC)OS(=O)(=O)C1=CC=C(C=C1)C)O

Isomeric SMILES

CCOC(=O)/C=C/[C@H]([C@@H](/C=C/C(=O)OCC)OS(=O)(=O)C1=CC=C(C=C1)C)O

InChI

InChI=1S/C19H24O8S/c1-4-25-18(21)12-10-16(20)17(11-13-19(22)26-5-2)27-28(23,24)15-8-6-14(3)7-9-15/h6-13,16-17,20H,4-5H2,1-3H3/b12-10+,13-11+/t16-,17-/m1/s1