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

Systemtic Name: (2-pentadecoxyphenyl) 4-[4-(1-hexoxyethyl)phenyl]benzoate Openeye Name: (2-pentadecoxyphenyl) 4-[4-(1-hexoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-hexoxyethyl)phenyl]benzoic acid (2-pentadecoxyphenyl) ester IUPAC Name: (2-pentadecoxyphenyl) 4-[4-(1-hexoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-hexoxyethyl)phenyl]benzoic acid (2-pentadecoxyphenyl) ester Formula: C42H60O4 MolecularWeight: 628.9234

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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)OCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C42H60O4/c1-4-6-8-10-11-12-13-14-15-16-17-18-22-34-45-40-23-19-20-24-41(40)46-42(43)39-31-29-38(30-32-39)37-27-25-36(26-28-37)35(3)44-33-21-9-7-5-2/h19-20,23-32,35H,4-18,21-22,33-34H2,1-3H3