[4-(4-heptylphenyl)phenyl] 4-(1-propoxyethyl)benzoate

Systemtic Name: [4-(4-heptylphenyl)phenyl] 4-(1-propoxyethyl)benzoate Openeye Name: [4-(4-heptylphenyl)phenyl] 4-(1-propoxyethyl)benzoate CAS Name: 4-(1-propoxyethyl)benzoic acid [4-(4-heptylphenyl)phenyl] ester IUPAC Name: [4-(4-heptylphenyl)phenyl] 4-(1-propoxyethyl)benzoate Traditional Name: 4-(1-propoxyethyl)benzoic acid [4-(4-heptylphenyl)phenyl] ester Formula: C31H38O3 MolecularWeight: 458.63162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C(C)OCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C(C)OCCC

InChI

InChI=1S/C31H38O3/c1-4-6-7-8-9-10-25-11-13-27(14-12-25)28-19-21-30(22-20-28)34-31(32)29-17-15-26(16-18-29)24(3)33-23-5-2/h11-22,24H,4-10,23H2,1-3H3