[2,3-bis(fluoranyl)-4-heptoxy-phenyl] 4-heptoxybenzoate

Systemtic Name: [2,3-bis(fluoranyl)-4-heptoxy-phenyl] 4-heptoxybenzoate Openeye Name: (2,3-difluoro-4-heptoxy-phenyl) 4-heptoxybenzoate CAS Name: 4-heptoxybenzoic acid (2,3-difluoro-4-heptoxyphenyl) ester IUPAC Name: (2,3-difluoro-4-heptoxyphenyl) 4-heptoxybenzoate Traditional Name: 4-heptoxybenzoic acid (2,3-difluoro-4-heptoxy-phenyl) ester Formula: C27H36F2O4 MolecularWeight: 462.569146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C(=C(C=C2)OCCCCCCC)F)F

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C(=C(C=C2)OCCCCCCC)F)F

InChI

InChI=1S/C27H36F2O4/c1-3-5-7-9-11-19-31-22-15-13-21(14-16-22)27(30)33-24-18-17-23(25(28)26(24)29)32-20-12-10-8-6-4-2/h13-18H,3-12,19-20H2,1-2H3