(2-propylphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate

Systemtic Name: (2-propylphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate Openeye Name: (2-propylphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-hexadecoxyethyl)phenyl]benzoic acid (2-propylphenyl) ester IUPAC Name: (2-propylphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-cetyloxyethyl)phenyl]benzoic acid (2-propylphenyl) ester Formula: C40H56O3 MolecularWeight: 584.87084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3CCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3CCC

InChI

InChI=1S/C40H56O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-32-42-33(3)34-24-26-35(27-25-34)36-28-30-38(31-29-36)40(41)43-39-23-19-18-22-37(39)21-5-2/h18-19,22-31,33H,4-17,20-21,32H2,1-3H3