[4-acetyloxy-6-chloranyl-2,3-bis(3-methylphenoxy)naphthalen-1-yl] 2,2-dimethylpentanoate

Systemtic Name: [4-acetyloxy-6-chloranyl-2,3-bis(3-methylphenoxy)naphthalen-1-yl] 2,2-dimethylpentanoate Openeye Name: [4-acetoxy-6-chloro-2,3-bis(3-methylphenoxy)-1-naphthyl] 2,2-dimethylpentanoate CAS Name: 2,2-dimethylpentanoic acid [4-acetyloxy-6-chloro-2,3-bis(3-methylphenoxy)-1-naphthalenyl] ester IUPAC Name: [4-acetyloxy-6-chloro-2,3-bis(3-methylphenoxy)naphthalen-1-yl] 2,2-dimethylpentanoate Traditional Name: 2,2-dimethylvaleric acid [4-acetoxy-6-chloro-2,3-bis(3-methylphenoxy)-1-naphthyl] ester Formula: C33H33ClO6 MolecularWeight: 561.06452

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)C(=O)OC1=C(C(=C(C2=C1C=CC(=C2)Cl)OC(=O)C)OC3=CC=CC(=C3)C)OC4=CC=CC(=C4)C

Isomeric SMILES

CCCC(C)(C)C(=O)OC1=C(C(=C(C2=C1C=CC(=C2)Cl)OC(=O)C)OC3=CC=CC(=C3)C)OC4=CC=CC(=C4)C

InChI

InChI=1S/C33H33ClO6/c1-7-16-33(5,6)32(36)40-28-26-15-14-23(34)19-27(26)29(37-22(4)35)31(39-25-13-9-11-21(3)18-25)30(28)38-24-12-8-10-20(2)17-24/h8-15,17-19H,7,16H2,1-6H3