[4-butoxy-6-chloranyl-2,3-bis(4-chloranyl-2-oxidanyl-phenoxy)naphthalen-1-yl] 2-phenylethanoate

Systemtic Name: [4-butoxy-6-chloranyl-2,3-bis(4-chloranyl-2-oxidanyl-phenoxy)naphthalen-1-yl] 2-phenylethanoate Openeye Name: [4-butoxy-6-chloro-2,3-bis(4-chloro-2-hydroxy-phenoxy)-1-naphthyl] 2-phenylacetate CAS Name: 2-phenylacetic acid [4-butoxy-6-chloro-2,3-bis(4-chloro-2-hydroxyphenoxy)-1-naphthalenyl] ester IUPAC Name: [4-butoxy-6-chloro-2,3-bis(4-chloro-2-hydroxyphenoxy)naphthalen-1-yl] 2-phenylacetate Traditional Name: 2-phenylacetic acid [4-butoxy-6-chloro-2,3-bis(4-chloro-2-hydroxy-phenoxy)-1-naphthyl] ester Formula: C34H27Cl3O7 MolecularWeight: 653.93298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=C(C2=C1C=C(C=C2)Cl)OC(=O)CC3=CC=CC=C3)OC4=C(C=C(C=C4)Cl)O)OC5=C(C=C(C=C5)Cl)O

Isomeric SMILES

CCCCOC1=C(C(=C(C2=C1C=C(C=C2)Cl)OC(=O)CC3=CC=CC=C3)OC4=C(C=C(C=C4)Cl)O)OC5=C(C=C(C=C5)Cl)O

InChI

InChI=1S/C34H27Cl3O7/c1-2-3-15-41-31-25-17-21(35)9-12-24(25)32(44-30(40)16-20-7-5-4-6-8-20)34(43-29-14-11-23(37)19-27(29)39)33(31)42-28-13-10-22(36)18-26(28)38/h4-14,17-19,38-39H,2-3,15-16H2,1H3