(2-pentadecan-4-ylphenyl) 4-[4-(1-propoxyethyl)phenyl]benzoate

Systemtic Name: (2-pentadecan-4-ylphenyl) 4-[4-(1-propoxyethyl)phenyl]benzoate Openeye Name: [2-(1-propyldodecyl)phenyl] 4-[4-(1-propoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-propoxyethyl)phenyl]benzoic acid (2-pentadecan-4-ylphenyl) ester IUPAC Name: (2-pentadecan-4-ylphenyl) 4-[4-(1-propoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-propoxyethyl)phenyl]benzoic acid [2-(1-propyldodecyl)phenyl] ester Formula: C39H54O3 MolecularWeight: 570.84426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCC)C1=CC=CC=C1OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(C)OCCC

Isomeric SMILES

CCCCCCCCCCCC(CCC)C1=CC=CC=C1OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(C)OCCC

InChI

InChI=1S/C39H54O3/c1-5-8-9-10-11-12-13-14-15-19-35(18-6-2)37-20-16-17-21-38(37)42-39(40)36-28-26-34(27-29-36)33-24-22-32(23-25-33)31(4)41-30-7-3/h16-17,20-29,31,35H,5-15,18-19,30H2,1-4H3