methyl (E)-7-[3,5-bis-(4-methylphenyl)sulfonyloxy-2-[(E)-oct-1-enyl]cyclopentyl]-2-(oxan-2-yloxy)hept-5-enoate

Systemtic Name: methyl (E)-7-[3,5-bis-(4-methylphenyl)sulfonyloxy-2-[(E)-oct-1-enyl]cyclopentyl]-2-(oxan-2-yloxy)hept-5-enoate Openeye Name: methyl (E)-7-[2-[(E)-oct-1-enyl]-3,5-bis(p-tolylsulfonyloxy)cyclopentyl]-2-tetrahydropyran-2-yloxy-hept-5-enoate CAS Name: (E)-7-[3,5-bis-(4-methylphenyl)sulfonyloxy-2-[(E)-oct-1-enyl]cyclopentyl]-2-(2-oxanyloxy)-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[3,5-bis-(4-methylphenyl)sulfonyloxy-2-[(E)-oct-1-enyl]cyclopentyl]-2-(oxan-2-yloxy)hept-5-enoate Traditional Name: (E)-7-[2-[(E)-oct-1-enyl]-3,5-ditosyloxy-cyclopentyl]-2-tetrahydropyran-2-yloxy-hept-5-enoic acid methyl ester Formula: C40H56O10S2 MolecularWeight: 760.99664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CC1C(CC(C1CC=CCCC(C(=O)OC)OC2CCCCO2)OS(=O)(=O)C3=CC=C(C=C3)C)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCCC/C=C/C1C(CC(C1C/C=C/CCC(C(=O)OC)OC2CCCCO2)OS(=O)(=O)C3=CC=C(C=C3)C)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C40H56O10S2/c1-5-6-7-8-9-11-16-34-35(17-12-10-13-18-36(40(41)46-4)48-39-19-14-15-28-47-39)38(50-52(44,45)33-26-22-31(3)23-27-33)29-37(34)49-51(42,43)32-24-20-30(2)21-25-32/h10-12,16,20-27,34-39H,5-9,13-15,17-19,28-29H2,1-4H3/b12-10+,16-11+