ethyl 4-[3-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]-3-oxidanyl-prop-1-ynyl]benzoate

Systemtic Name: ethyl 4-[3-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]-3-oxidanyl-prop-1-ynyl]benzoate Openeye Name: ethyl 4-[3-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]-3-hydroxy-prop-1-ynyl]benzoate CAS Name: 4-[3-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]-3-hydroxyprop-1-ynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]-3-hydroxyprop-1-ynyl]benzoate Traditional Name: 4-[3-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]-3-hydroxy-prop-1-ynyl]benzoic acid ethyl ester Formula: C28H36O5 MolecularWeight: 452.58244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC(C2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)OCOC)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC(C2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)OCOC)O

InChI

InChI=1S/C28H36O5/c1-9-32-26(30)20-13-10-19(11-14-20)12-15-24(29)22-16-21(27(2,3)4)17-23(28(5,6)7)25(22)33-18-31-8/h10-11,13-14,16-17,24,29H,9,18H2,1-8H3