O2,O2-ditert-butyl O1-(phenylmethyl) 1-methylnonane-1,2,2-tricarboxylate

Systemtic Name: O2,O2-ditert-butyl O1-(phenylmethyl) 1-methylnonane-1,2,2-tricarboxylate Openeye Name: O1-benzyl O2,O2-ditert-butyl 1-methylnonane-1,2,2-tricarboxylate CAS Name: 1-methylnonane-1,2,2-tricarboxylic acid O2,O2-ditert-butyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 2-O,2-O-ditert-butyl 1-methylnonane-1,2,2-tricarboxylate Traditional Name: 1-methylnonane-1,2,2-tricarboxylic acid O1-benzyl ester O2,O2-ditert-butyl ester Formula: C28H44O6 MolecularWeight: 476.64536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(C)C(=O)OCC1=CC=CC=C1)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCC(C(C)C(=O)OCC1=CC=CC=C1)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H44O6/c1-9-10-11-12-16-19-28(24(30)33-26(3,4)5,25(31)34-27(6,7)8)21(2)23(29)32-20-22-17-14-13-15-18-22/h13-15,17-18,21H,9-12,16,19-20H2,1-8H3