(2-octan-4-yloxyphenyl) 4-[4-(1-hexoxyethyl)phenyl]benzoate

Systemtic Name: (2-octan-4-yloxyphenyl) 4-[4-(1-hexoxyethyl)phenyl]benzoate Openeye Name: [2-(1-propylpentoxy)phenyl] 4-[4-(1-hexoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-hexoxyethyl)phenyl]benzoic acid (2-octan-4-yloxyphenyl) ester IUPAC Name: (2-octan-4-yloxyphenyl) 4-[4-(1-hexoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-hexoxyethyl)phenyl]benzoic acid [2-(1-propylpentoxy)phenyl] ester Formula: C35H46O4 MolecularWeight: 530.73734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3OC(CCC)CCCC

Isomeric SMILES

CCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3OC(CCC)CCCC

InChI

InChI=1S/C35H46O4/c1-5-8-10-13-26-37-27(4)28-18-20-29(21-19-28)30-22-24-31(25-23-30)35(36)39-34-17-12-11-16-33(34)38-32(14-7-3)15-9-6-2/h11-12,16-25,27,32H,5-10,13-15,26H2,1-4H3