[(2S)-octan-2-yl] 4-(4-hexoxyphenyl)carbonylbenzoate

Systemtic Name: [(2S)-octan-2-yl] 4-(4-hexoxyphenyl)carbonylbenzoate Openeye Name: [(1S)-1-methylheptyl] 4-(4-hexoxybenzoyl)benzoate CAS Name: 4-[(4-hexoxyphenyl)-oxomethyl]benzoic acid [(2S)-octan-2-yl] ester IUPAC Name: [(2S)-octan-2-yl] 4-(4-hexoxybenzoyl)benzoate Traditional Name: 4-(4-hexoxybenzoyl)benzoic acid [(1S)-1-methylheptyl] ester Formula: C28H38O4 MolecularWeight: 438.59892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OCCCCCC

Isomeric SMILES

CCCCCC[C@H](C)OC(=O)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OCCCCCC

InChI

InChI=1S/C28H38O4/c1-4-6-8-10-12-22(3)32-28(30)25-15-13-23(14-16-25)27(29)24-17-19-26(20-18-24)31-21-11-9-7-5-2/h13-20,22H,4-12,21H2,1-3H3/t22-/m0/s1