O1,O1'-ditert-butyl O3-[(4-methoxyphenyl)methyl] 4-oxidanylidene-3-phenylselanyl-cyclohexane-1,1,3-tricarboxylate

Systemtic Name: O1,O1'-ditert-butyl O3-[(4-methoxyphenyl)methyl] 4-oxidanylidene-3-phenylselanyl-cyclohexane-1,1,3-tricarboxylate Openeye Name: O1,O1'-ditert-butyl O3-[(4-methoxyphenyl)methyl] 4-oxo-3-phenylselanyl-cyclohexane-1,1,3-tricarboxylate CAS Name: 4-oxo-3-(phenylseleno)cyclohexane-1,1,3-tricarboxylic acid O1,O1'-ditert-butyl ester O3-[(4-methoxyphenyl)methyl] ester IUPAC Name: 1-O,1-O'-ditert-butyl 3-O-[(4-methoxyphenyl)methyl] 4-oxo-3-phenylselanylcyclohexane-1,1,3-tricarboxylate Traditional Name: 4-keto-3-(phenylseleno)cyclohexane-1,1,3-tricarboxylic acid O1,O1'-ditert-butyl ester O3-p-anisyl ester Formula: C31H38O8Se MolecularWeight: 617.58862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CCC(=O)C(C1)(C(=O)OCC2=CC=C(C=C2)OC)[Se]C3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C1(CCC(=O)C(C1)(C(=O)OCC2=CC=C(C=C2)OC)[Se]C3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C31H38O8Se/c1-28(2,3)38-25(33)30(26(34)39-29(4,5)6)18-17-24(32)31(20-30,40-23-11-9-8-10-12-23)27(35)37-19-21-13-15-22(36-7)16-14-21/h8-16H,17-20H2,1-7H3