(2-pentadecoxyphenyl) 4-[4-(1-propoxyethyl)phenyl]benzoate

Systemtic Name: (2-pentadecoxyphenyl) 4-[4-(1-propoxyethyl)phenyl]benzoate Openeye Name: (2-pentadecoxyphenyl) 4-[4-(1-propoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-propoxyethyl)phenyl]benzoic acid (2-pentadecoxyphenyl) ester IUPAC Name: (2-pentadecoxyphenyl) 4-[4-(1-propoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-propoxyethyl)phenyl]benzoic acid (2-pentadecoxyphenyl) ester Formula: C39H54O4 MolecularWeight: 586.84366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(C)OCCC

Isomeric SMILES

CCCCCCCCCCCCCCCOC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(C)OCCC

InChI

InChI=1S/C39H54O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-19-31-42-37-20-17-18-21-38(37)43-39(40)36-28-26-35(27-29-36)34-24-22-33(23-25-34)32(3)41-30-5-2/h17-18,20-29,32H,4-16,19,30-31H2,1-3H3