[4-[4-(1-octoxyethyl)phenyl]phenyl] 4-octylbenzoate

Systemtic Name: [4-[4-(1-octoxyethyl)phenyl]phenyl] 4-octylbenzoate Openeye Name: [4-[4-(1-octoxyethyl)phenyl]phenyl] 4-octylbenzoate CAS Name: 4-octylbenzoic acid [4-[4-(1-octoxyethyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(1-octoxyethyl)phenyl]phenyl] 4-octylbenzoate Traditional Name: 4-octylbenzoic acid [4-[4-(1-octoxyethyl)phenyl]phenyl] ester Formula: C37H50O3 MolecularWeight: 542.7911

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(C)OCCCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(C)OCCCCCCCC

InChI

InChI=1S/C37H50O3/c1-4-6-8-10-12-14-16-31-17-19-35(20-18-31)37(38)40-36-27-25-34(26-28-36)33-23-21-32(22-24-33)30(3)39-29-15-13-11-9-7-5-2/h17-28,30H,4-16,29H2,1-3H3