[5-[4-(5-acetyloxy-4,4-dimethyl-pentoxy)-3-phenyl-phenoxy]-2,2-dimethyl-pentyl] ethanoate

Systemtic Name: [5-[4-(5-acetyloxy-4,4-dimethyl-pentoxy)-3-phenyl-phenoxy]-2,2-dimethyl-pentyl] ethanoate Openeye Name: [5-[4-(5-acetoxy-4,4-dimethyl-pentoxy)-3-phenyl-phenoxy]-2,2-dimethyl-pentyl] acetate CAS Name: acetic acid [5-[4-(5-acetyloxy-4,4-dimethylpentoxy)-3-phenylphenoxy]-2,2-dimethylpentyl] ester IUPAC Name: [5-[4-(5-acetyloxy-4,4-dimethylpentoxy)-3-phenylphenoxy]-2,2-dimethylpentyl] acetate Traditional Name: acetic acid [5-[4-(5-acetoxy-4,4-dimethyl-pentoxy)-3-phenyl-phenoxy]-2,2-dimethyl-pentyl] ester Formula: C30H42O6 MolecularWeight: 498.65088

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C)(C)CCCOC1=CC(=C(C=C1)OCCCC(C)(C)COC(=O)C)C2=CC=CC=C2

Isomeric SMILES

CC(=O)OCC(C)(C)CCCOC1=CC(=C(C=C1)OCCCC(C)(C)COC(=O)C)C2=CC=CC=C2

InChI

InChI=1S/C30H42O6/c1-23(31)35-21-29(3,4)16-10-18-33-26-14-15-28(27(20-26)25-12-8-7-9-13-25)34-19-11-17-30(5,6)22-36-24(2)32/h7-9,12-15,20H,10-11,16-19,21-22H2,1-6H3