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

Systemtic Name: [4-[4-(1-hexoxyethyl)phenyl]phenyl] 4-octylbenzoate Openeye Name: [4-[4-(1-hexoxyethyl)phenyl]phenyl] 4-octylbenzoate CAS Name: 4-octylbenzoic acid [4-[4-(1-hexoxyethyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(1-hexoxyethyl)phenyl]phenyl] 4-octylbenzoate Traditional Name: 4-octylbenzoic acid [4-[4-(1-hexoxyethyl)phenyl]phenyl] ester Formula: C35H46O3 MolecularWeight: 514.73794

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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)OCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C35H46O3/c1-4-6-8-10-11-12-14-29-15-17-33(18-16-29)35(36)38-34-25-23-32(24-26-34)31-21-19-30(20-22-31)28(3)37-27-13-9-7-5-2/h15-26,28H,4-14,27H2,1-3H3