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

Systemtic Name: [3-(3-tert-butyl-4-hexoxy-phenyl)-3-oxidanyl-prop-1-ynyl] benzoate Openeye Name: [3-(3-tert-butyl-4-hexoxy-phenyl)-3-hydroxy-prop-1-ynyl] benzoate CAS Name: benzoic acid [3-(3-tert-butyl-4-hexoxyphenyl)-3-hydroxyprop-1-ynyl] ester IUPAC Name: [3-(3-tert-butyl-4-hexoxyphenyl)-3-hydroxyprop-1-ynyl] benzoate Traditional Name: benzoic acid [3-(3-tert-butyl-4-hexoxy-phenyl)-3-hydroxy-prop-1-ynyl] ester Formula: C26H32O4 MolecularWeight: 408.52988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(C#COC(=O)C2=CC=CC=C2)O)C(C)(C)C

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(C#COC(=O)C2=CC=CC=C2)O)C(C)(C)C

InChI

InChI=1S/C26H32O4/c1-5-6-7-11-17-29-24-15-14-21(19-22(24)26(2,3)4)23(27)16-18-30-25(28)20-12-9-8-10-13-20/h8-10,12-15,19,23,27H,5-7,11,17H2,1-4H3