[4-(4-pentadecoxyphenyl)phenyl] 4-(1-hexoxyethyl)benzoate

Systemtic Name: [4-(4-pentadecoxyphenyl)phenyl] 4-(1-hexoxyethyl)benzoate Openeye Name: [4-(4-pentadecoxyphenyl)phenyl] 4-(1-hexoxyethyl)benzoate CAS Name: 4-(1-hexoxyethyl)benzoic acid [4-(4-pentadecoxyphenyl)phenyl] ester IUPAC Name: [4-(4-pentadecoxyphenyl)phenyl] 4-(1-hexoxyethyl)benzoate Traditional Name: 4-(1-hexoxyethyl)benzoic acid [4-(4-pentadecoxyphenyl)phenyl] ester Formula: C42H60O4 MolecularWeight: 628.9234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C(C)OCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C(C)OCCCCCC

InChI

InChI=1S/C42H60O4/c1-4-6-8-10-11-12-13-14-15-16-17-18-20-34-45-40-29-25-37(26-30-40)38-27-31-41(32-28-38)46-42(43)39-23-21-36(22-24-39)35(3)44-33-19-9-7-5-2/h21-32,35H,4-20,33-34H2,1-3H3