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

Systemtic Name: [6-chloranyl-2,3-bis(2-fluoranylphenoxy)-4-octanoyloxy-naphthalen-1-yl] 2-methylbenzoate Openeye Name: [6-chloro-2,3-bis(2-fluorophenoxy)-4-octanoyloxy-1-naphthyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [6-chloro-2,3-bis(2-fluorophenoxy)-4-(1-oxooctoxy)-1-naphthalenyl] ester IUPAC Name: [6-chloro-2,3-bis(2-fluorophenoxy)-4-octanoyloxynaphthalen-1-yl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [4-caprylyloxy-6-chloro-2,3-bis(2-fluorophenoxy)-1-naphthyl] ester Formula: C38H33ClF2O6 MolecularWeight: 659.114826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=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

CCCCCCCC(=O)OC1=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/C38H33ClF2O6/c1-3-4-5-6-7-20-33(42)46-35-28-23-25(39)21-22-27(28)34(47-38(43)26-15-9-8-14-24(26)2)36(44-31-18-12-10-16-29(31)40)37(35)45-32-19-13-11-17-30(32)41/h8-19,21-23H,3-7,20H2,1-2H3