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

Systemtic Name: [3-(3-tert-butyl-4-propoxy-phenyl)-3-oxidanyl-prop-1-ynyl] benzoate Openeye Name: [3-(3-tert-butyl-4-propoxy-phenyl)-3-hydroxy-prop-1-ynyl] benzoate CAS Name: benzoic acid [3-(3-tert-butyl-4-propoxyphenyl)-3-hydroxyprop-1-ynyl] ester IUPAC Name: [3-(3-tert-butyl-4-propoxyphenyl)-3-hydroxyprop-1-ynyl] benzoate Traditional Name: benzoic acid [3-(3-tert-butyl-4-propoxy-phenyl)-3-hydroxy-prop-1-ynyl] ester Formula: C23H26O4 MolecularWeight: 366.45014

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(C#COC(=O)C2=CC=CC=C2)O)C(C)(C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(C#COC(=O)C2=CC=CC=C2)O)C(C)(C)C

InChI

InChI=1S/C23H26O4/c1-5-14-26-21-12-11-18(16-19(21)23(2,3)4)20(24)13-15-27-22(25)17-9-7-6-8-10-17/h6-12,16,20,24H,5,14H2,1-4H3