O7-methyl O1-phenyl (2S)-2-[(1R)-2-methyl-1-(phenylsulfonyl)propyl]heptanedioate

Systemtic Name: O7-methyl O1-phenyl (2S)-2-[(1R)-2-methyl-1-(phenylsulfonyl)propyl]heptanedioate Openeye Name: O7-methyl O1-phenyl (2S)-2-[(1R)-1-(benzenesulfonyl)-2-methyl-propyl]heptanedioate CAS Name: (2S)-2-[(1R)-1-(benzenesulfonyl)-2-methylpropyl]heptanedioic acid O7-methyl ester O1-phenyl ester IUPAC Name: 7-O-methyl 1-O-phenyl (2S)-2-[(1R)-1-(benzenesulfonyl)-2-methylpropyl]heptanedioate Traditional Name: (2S)-2-[(1R)-1-besyl-2-methyl-propyl]pimelic acid O7-methyl ester O1-phenyl ester Formula: C24H30O6S MolecularWeight: 446.5564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(CCCCC(=O)OC)C(=O)OC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@H]([C@@H](CCCCC(=O)OC)C(=O)OC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C24H30O6S/c1-18(2)23(31(27,28)20-14-8-5-9-15-20)21(16-10-11-17-22(25)29-3)24(26)30-19-12-6-4-7-13-19/h4-9,12-15,18,21,23H,10-11,16-17H2,1-3H3/t21-,23-/m1/s1