2-[4-[2-[4-(2-hydroxyethyloxy)phenyl]pent-3-yn-2-yl]phenoxy]ethyl 4-ethanoylbenzoate

Systemtic Name: 2-[4-[2-[4-(2-hydroxyethyloxy)phenyl]pent-3-yn-2-yl]phenoxy]ethyl 4-ethanoylbenzoate Openeye Name: 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-1-methyl-but-2-ynyl]phenoxy]ethyl 4-acetylbenzoate CAS Name: 4-acetylbenzoic acid 2-[4-[2-[4-(2-hydroxyethoxy)phenyl]pent-3-yn-2-yl]phenoxy]ethyl ester IUPAC Name: 2-[4-[2-[4-(2-hydroxyethoxy)phenyl]pent-3-yn-2-yl]phenoxy]ethyl 4-acetylbenzoate Traditional Name: 4-acetylbenzoic acid 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-1-methyl-but-2-ynyl]phenoxy]ethyl ester Formula: C30H30O6 MolecularWeight: 486.5556

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(C)(C1=CC=C(C=C1)OCCO)C2=CC=C(C=C2)OCCOC(=O)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC#CC(C)(C1=CC=C(C=C1)OCCO)C2=CC=C(C=C2)OCCOC(=O)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C30H30O6/c1-4-17-30(3,25-9-13-27(14-10-25)34-19-18-31)26-11-15-28(16-12-26)35-20-21-36-29(33)24-7-5-23(6-8-24)22(2)32/h5-16,31H,18-21H2,1-3H3