(2-hexylphenyl) 4-[4-(1-pentadecoxyethyl)phenyl]benzoate

Systemtic Name: (2-hexylphenyl) 4-[4-(1-pentadecoxyethyl)phenyl]benzoate Openeye Name: (2-hexylphenyl) 4-[4-(1-pentadecoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-pentadecoxyethyl)phenyl]benzoic acid (2-hexylphenyl) ester IUPAC Name: (2-hexylphenyl) 4-[4-(1-pentadecoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-pentadecoxyethyl)phenyl]benzoic acid (2-hexylphenyl) ester Formula: C42H60O3 MolecularWeight: 612.924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3CCCCCC

InChI

InChI=1S/C42H60O3/c1-4-6-8-10-11-12-13-14-15-16-17-18-22-34-44-35(3)36-26-28-37(29-27-36)38-30-32-40(33-31-38)42(43)45-41-25-21-20-24-39(41)23-19-9-7-5-2/h20-21,24-33,35H,4-19,22-23,34H2,1-3H3