O4-tert-butyl O1-(phenylmethyl) 2-heptylbutanedioate

Systemtic Name: O4-tert-butyl O1-(phenylmethyl) 2-heptylbutanedioate Openeye Name: O1-benzyl O4-tert-butyl 2-heptylbutanedioate CAS Name: 2-heptylbutanedioic acid O4-tert-butyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 4-O-tert-butyl 2-heptylbutanedioate Traditional Name: 2-heptylsuccinic acid O1-benzyl ester O4-tert-butyl ester Formula: C22H34O4 MolecularWeight: 362.50296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34O4/c1-5-6-7-8-12-15-19(16-20(23)26-22(2,3)4)21(24)25-17-18-13-10-9-11-14-18/h9-11,13-14,19H,5-8,12,15-17H2,1-4H3