O1-tert-butyl O3-octadecyl 2-octadecyl-2-(phenylmethyl)propanedioate; 2-methylphenol

Systemtic Name: O1-tert-butyl O3-octadecyl 2-octadecyl-2-(phenylmethyl)propanedioate; 2-methylphenol Openeye Name: O1-tert-butyl O3-octadecyl 2-benzyl-2-octadecyl-propanedioate; o-cresol CAS Name: 2-methylphenol; 2-octadecyl-2-(phenylmethyl)propanedioic acid O1-tert-butyl ester O3-octadecyl ester IUPAC Name: 1-O-tert-butyl 3-O-octadecyl 2-benzyl-2-octadecylpropanedioate; 2-methylphenol Traditional Name: 2-benzyl-2-stearyl-malonic acid O1-tert-butyl ester O3-stearyl ester; o-cresol Formula: C57H98O5 MolecularWeight: 863.38502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CC1=CC=CC=C1)(C(=O)OCCCCCCCCCCCCCCCCCC)C(=O)OC(C)(C)C.CC1=CC=CC=C1O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CC1=CC=CC=C1)(C(=O)OCCCCCCCCCCCCCCCCCC)C(=O)OC(C)(C)C.CC1=CC=CC=C1O

InChI

InChI=1S/C50H90O4.C7H8O/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-39-43-50(48(52)54-49(3,4)5,45-46-41-37-36-38-42-46)47(51)53-44-40-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;1-6-4-2-3-5-7(6)8/h36-38,41-42H,6-35,39-40,43-45H2,1-5H3;2-5,8H,1H3