(2-octan-4-ylphenyl) 4-[4-(1-nonoxyethyl)phenyl]benzoate

Systemtic Name: (2-octan-4-ylphenyl) 4-[4-(1-nonoxyethyl)phenyl]benzoate Openeye Name: [2-(1-propylpentyl)phenyl] 4-[4-(1-nonoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-nonoxyethyl)phenyl]benzoic acid (2-octan-4-ylphenyl) ester IUPAC Name: (2-octan-4-ylphenyl) 4-[4-(1-nonoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-nonoxyethyl)phenyl]benzoic acid [2-(1-propylpentyl)phenyl] ester Formula: C38H52O3 MolecularWeight: 556.81768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3C(CCC)CCCC

Isomeric SMILES

CCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3C(CCC)CCCC

InChI

InChI=1S/C38H52O3/c1-5-8-10-11-12-13-16-29-40-30(4)31-21-23-32(24-22-31)33-25-27-35(28-26-33)38(39)41-37-20-15-14-19-36(37)34(17-7-3)18-9-6-2/h14-15,19-28,30,34H,5-13,16-18,29H2,1-4H3