[4-butoxy-7-chloranyl-2,3-bis(2-fluoranylphenoxy)naphthalen-1-yl] 2-methylbenzoate

Systemtic Name: [4-butoxy-7-chloranyl-2,3-bis(2-fluoranylphenoxy)naphthalen-1-yl] 2-methylbenzoate Openeye Name: [4-butoxy-7-chloro-2,3-bis(2-fluorophenoxy)-1-naphthyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [4-butoxy-7-chloro-2,3-bis(2-fluorophenoxy)-1-naphthalenyl] ester IUPAC Name: [4-butoxy-7-chloro-2,3-bis(2-fluorophenoxy)naphthalen-1-yl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [4-butoxy-7-chloro-2,3-bis(2-fluorophenoxy)-1-naphthyl] ester Formula: C34H27ClF2O5 MolecularWeight: 589.024986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=C(C2=C1C=CC(=C2)Cl)OC(=O)C3=CC=CC=C3C)OC4=CC=CC=C4F)OC5=CC=CC=C5F

Isomeric SMILES

CCCCOC1=C(C(=C(C2=C1C=CC(=C2)Cl)OC(=O)C3=CC=CC=C3C)OC4=CC=CC=C4F)OC5=CC=CC=C5F

InChI

InChI=1S/C34H27ClF2O5/c1-3-4-19-39-30-24-18-17-22(35)20-25(24)31(42-34(38)23-12-6-5-11-21(23)2)33(41-29-16-10-8-14-27(29)37)32(30)40-28-15-9-7-13-26(28)36/h5-18,20H,3-4,19H2,1-2H3