methyl (E,11R)-12-(4-methylphenyl)sulfinyl-4-(4-methylphenyl)sulfonyl-11-oxidanyl-dodec-8-enoate

Systemtic Name: methyl (E,11R)-12-(4-methylphenyl)sulfinyl-4-(4-methylphenyl)sulfonyl-11-oxidanyl-dodec-8-enoate Openeye Name: methyl (E,11R)-11-hydroxy-12-(p-tolylsulfinyl)-4-(p-tolylsulfonyl)dodec-8-enoate CAS Name: (E,11R)-11-hydroxy-12-(4-methylphenyl)sulfinyl-4-(4-methylphenyl)sulfonyl-8-dodecenoic acid methyl ester IUPAC Name: methyl (E,11R)-11-hydroxy-12-(4-methylphenyl)sulfinyl-4-(4-methylphenyl)sulfonyldodec-8-enoate Traditional Name: (E,11R)-11-hydroxy-12-(p-tolylsulfinyl)-4-tosyl-dodec-8-enoic acid methyl ester Formula: C27H36O6S2 MolecularWeight: 520.70114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)CC(CC=CCCCC(CCC(=O)OC)S(=O)(=O)C2=CC=C(C=C2)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)C[C@@H](C/C=C/CCCC(CCC(=O)OC)S(=O)(=O)C2=CC=C(C=C2)C)O

InChI

InChI=1S/C27H36O6S2/c1-21-10-14-24(15-11-21)34(30)20-23(28)8-6-4-5-7-9-25(18-19-27(29)33-3)35(31,32)26-16-12-22(2)13-17-26/h4,6,10-17,23,25,28H,5,7-9,18-20H2,1-3H3/b6-4+/t23-,25?,34?/m1/s1