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

Systemtic Name: (2-propoxyphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate Openeye Name: (2-propoxyphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-hexadecoxyethyl)phenyl]benzoic acid (2-propoxyphenyl) ester IUPAC Name: (2-propoxyphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-cetyloxyethyl)phenyl]benzoic acid (2-propoxyphenyl) ester Formula: C40H56O4 MolecularWeight: 600.87024

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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=C3OCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3OCCC

InChI

InChI=1S/C40H56O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-32-42-33(3)34-23-25-35(26-24-34)36-27-29-37(30-28-36)40(41)44-39-22-19-18-21-38(39)43-31-5-2/h18-19,21-30,33H,4-17,20,31-32H2,1-3H3