O1'-tert-butyl O1-(phenylmethyl) (11E)-cyclohenicos-11-ene-1,1-dicarboxylate

Systemtic Name: O1'-tert-butyl O1-(phenylmethyl) (11E)-cyclohenicos-11-ene-1,1-dicarboxylate Openeye Name: O1-benzyl O1'-tert-butyl (11E)-cyclohenicos-11-ene-1,1-dicarboxylate CAS Name: (11E)-cycloheneicos-11-ene-1,1-dicarboxylic acid O1'-tert-butyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 1-O'-tert-butyl (11E)-cyclohenicos-11-ene-1,1-dicarboxylate Traditional Name: (11E)-cycloheneicos-11-ene-1,1-dicarboxylic acid O1-benzyl ester O1'-tert-butyl ester Formula: C34H54O4 MolecularWeight: 526.79016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CCCCCCCCCC=CCCCCCCCCC1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C1(CCCCCCCCC/C=C/CCCCCCCCC1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C34H54O4/c1-33(2,3)38-32(36)34(31(35)37-29-30-25-21-20-22-26-30)27-23-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-24-28-34/h4-5,20-22,25-26H,6-19,23-24,27-29H2,1-3H3/b5-4+