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

Systemtic Name: [6-chloranyl-2,3-bis(2-fluoranylphenoxy)-4-pentoxy-naphthalen-1-yl] 2-methylbenzoate Openeye Name: [6-chloro-2,3-bis(2-fluorophenoxy)-4-pentoxy-1-naphthyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [6-chloro-2,3-bis(2-fluorophenoxy)-4-pentoxy-1-naphthalenyl] ester IUPAC Name: [6-chloro-2,3-bis(2-fluorophenoxy)-4-pentoxynaphthalen-1-yl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [4-amoxy-6-chloro-2,3-bis(2-fluorophenoxy)-1-naphthyl] ester Formula: C35H29ClF2O5 MolecularWeight: 603.051566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C(=C(C2=C1C=C(C=C2)Cl)OC(=O)C3=CC=CC=C3C)OC4=CC=CC=C4F)OC5=CC=CC=C5F

Isomeric SMILES

CCCCCOC1=C(C(=C(C2=C1C=C(C=C2)Cl)OC(=O)C3=CC=CC=C3C)OC4=CC=CC=C4F)OC5=CC=CC=C5F

InChI

InChI=1S/C35H29ClF2O5/c1-3-4-11-20-40-31-26-21-23(36)18-19-25(26)32(43-35(39)24-13-6-5-12-22(24)2)34(42-30-17-10-8-15-28(30)38)33(31)41-29-16-9-7-14-27(29)37/h5-10,12-19,21H,3-4,11,20H2,1-2H3