methyl 4-[3-(3-tert-butyl-4-hexoxy-phenyl)-3-oxidanyl-prop-1-ynyl]benzoate

Systemtic Name: methyl 4-[3-(3-tert-butyl-4-hexoxy-phenyl)-3-oxidanyl-prop-1-ynyl]benzoate Openeye Name: methyl 4-[3-(3-tert-butyl-4-hexoxy-phenyl)-3-hydroxy-prop-1-ynyl]benzoate CAS Name: 4-[3-(3-tert-butyl-4-hexoxyphenyl)-3-hydroxyprop-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(3-tert-butyl-4-hexoxyphenyl)-3-hydroxyprop-1-ynyl]benzoate Traditional Name: 4-[3-(3-tert-butyl-4-hexoxy-phenyl)-3-hydroxy-prop-1-ynyl]benzoic acid methyl ester Formula: C27H34O4 MolecularWeight: 422.55646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(C#CC2=CC=C(C=C2)C(=O)OC)O)C(C)(C)C

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(C#CC2=CC=C(C=C2)C(=O)OC)O)C(C)(C)C

InChI

InChI=1S/C27H34O4/c1-6-7-8-9-18-31-25-17-15-22(19-23(25)27(2,3)4)24(28)16-12-20-10-13-21(14-11-20)26(29)30-5/h10-11,13-15,17,19,24,28H,6-9,18H2,1-5H3