2-[2-(1-heptoxypropyl)-4-octoxy-phenyl]benzoate

Systemtic Name: 2-[2-(1-heptoxypropyl)-4-octoxy-phenyl]benzoate Openeye Name: 2-[2-(1-heptoxypropyl)-4-octoxy-phenyl]benzoate CAS Name: 2-[2-(1-heptoxypropyl)-4-octoxyphenyl]benzoate IUPAC Name: 2-[2-(1-heptoxypropyl)-4-octoxyphenyl]benzoate Traditional Name: 2-[2-(1-heptoxypropyl)-4-octoxy-phenyl]benzoate Formula: C31H45O4- MolecularWeight: 481.6866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1)C2=CC=CC=C2C(=O)[O-])C(CC)OCCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)C2=CC=CC=C2C(=O)[O-])C(CC)OCCCCCCC

InChI

InChI=1S/C31H46O4/c1-4-7-9-11-13-16-22-34-25-20-21-27(26-18-14-15-19-28(26)31(32)33)29(24-25)30(6-3)35-23-17-12-10-8-5-2/h14-15,18-21,24,30H,4-13,16-17,22-23H2,1-3H3,(H,32,33)/p-1