ethyl 4-[6-ethanoyl-3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-2-propyl-phenoxy]butanoate; 1-phenylethanone

Systemtic Name: ethyl 4-[6-ethanoyl-3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-2-propyl-phenoxy]butanoate; 1-phenylethanone Openeye Name: ethyl 4-[6-acetyl-3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-2-propyl-phenoxy]butanoate; 1-phenylethanone CAS Name: 4-[6-acetyl-3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-2-propylphenoxy]butanoic acid ethyl ester; 1-phenylethanone IUPAC Name: ethyl 4-[6-acetyl-3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-2-propylphenoxy]butanoate; 1-phenylethanone Traditional Name: acetophenone; 4-[6-acetyl-3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-2-propyl-phenoxy]butyric acid ethyl ester Formula: C39H50O9 MolecularWeight: 662.8089

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C(=C(C=C2)C(=O)C)OCCCC(=O)OCC)CCC.CC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C(=C(C=C2)C(=O)C)OCCCC(=O)OCC)CCC.CC(=O)C1=CC=CC=C1

InChI

InChI=1S/C31H42O8.C8H8O/c1-6-11-25-27(16-14-23(21(4)32)30(25)35)37-19-10-20-38-28-17-15-24(22(5)33)31(26(28)12-7-2)39-18-9-13-29(34)36-8-3;1-7(9)8-5-3-2-4-6-8/h14-17,35H,6-13,18-20H2,1-5H3;2-6H,1H3