(2-pentadecylphenyl) 4-[4-(1-decoxyethyl)phenyl]benzoate

Systemtic Name: (2-pentadecylphenyl) 4-[4-(1-decoxyethyl)phenyl]benzoate Openeye Name: (2-pentadecylphenyl) 4-[4-(1-decoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-decoxyethyl)phenyl]benzoic acid (2-pentadecylphenyl) ester IUPAC Name: (2-pentadecylphenyl) 4-[4-(1-decoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-decoxyethyl)phenyl]benzoic acid (2-pentadecylphenyl) ester Formula: C46H68O3 MolecularWeight: 669.03032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(C)OCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(C)OCCCCCCCCCC

InChI

InChI=1S/C46H68O3/c1-4-6-8-10-12-14-15-16-17-18-19-21-23-27-43-28-24-25-29-45(43)49-46(47)44-36-34-42(35-37-44)41-32-30-40(31-33-41)39(3)48-38-26-22-20-13-11-9-7-5-2/h24-25,28-37,39H,4-23,26-27,38H2,1-3H3