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

Systemtic Name: O4-tert-butyl O1-(phenylmethyl) 2-hexylbutanedioate Openeye Name: O1-benzyl O4-tert-butyl 2-hexylbutanedioate CAS Name: 2-hexylbutanedioic acid O4-tert-butyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 4-O-tert-butyl 2-hexylbutanedioate Traditional Name: 2-hexylsuccinic acid O1-benzyl ester O4-tert-butyl ester Formula: C21H32O4 MolecularWeight: 348.47638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32O4/c1-5-6-7-11-14-18(15-19(22)25-21(2,3)4)20(23)24-16-17-12-9-8-10-13-17/h8-10,12-13,18H,5-7,11,14-16H2,1-4H3