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

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

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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)OCCCC

Isomeric SMILES

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

InChI

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