[7-chloranyl-4-(2,2-dimethylhexanoyloxy)-2,3-dipropoxy-naphthalen-1-yl] 4-fluoranylbenzoate

Systemtic Name: [7-chloranyl-4-(2,2-dimethylhexanoyloxy)-2,3-dipropoxy-naphthalen-1-yl] 4-fluoranylbenzoate Openeye Name: [7-chloro-4-(2,2-dimethylhexanoyloxy)-2,3-dipropoxy-1-naphthyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [7-chloro-4-(2,2-dimethyl-1-oxohexoxy)-2,3-dipropoxy-1-naphthalenyl] ester IUPAC Name: [7-chloro-4-(2,2-dimethylhexanoyloxy)-2,3-dipropoxynaphthalen-1-yl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [7-chloro-4-(2,2-dimethylhexanoyloxy)-2,3-dipropoxy-1-naphthyl] ester Formula: C31H36ClFO6 MolecularWeight: 559.065343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(=O)OC1=C(C(=C(C2=C1C=CC(=C2)Cl)OC(=O)C3=CC=C(C=C3)F)OCCC)OCCC

Isomeric SMILES

CCCCC(C)(C)C(=O)OC1=C(C(=C(C2=C1C=CC(=C2)Cl)OC(=O)C3=CC=C(C=C3)F)OCCC)OCCC

InChI

InChI=1S/C31H36ClFO6/c1-6-9-16-31(4,5)30(35)39-25-23-15-12-21(32)19-24(23)26(28(37-18-8-3)27(25)36-17-7-2)38-29(34)20-10-13-22(33)14-11-20/h10-15,19H,6-9,16-18H2,1-5H3