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

Systemtic Name: [3-(3-tert-butyl-4-methoxy-phenyl)-3-oxidanyl-prop-1-ynyl] benzoate Openeye Name: [3-(3-tert-butyl-4-methoxy-phenyl)-3-hydroxy-prop-1-ynyl] benzoate CAS Name: benzoic acid [3-(3-tert-butyl-4-methoxyphenyl)-3-hydroxyprop-1-ynyl] ester IUPAC Name: [3-(3-tert-butyl-4-methoxyphenyl)-3-hydroxyprop-1-ynyl] benzoate Traditional Name: benzoic acid [3-(3-tert-butyl-4-methoxy-phenyl)-3-hydroxy-prop-1-ynyl] ester Formula: C21H22O4 MolecularWeight: 338.39698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22O4/c1-21(2,3)17-14-16(10-11-19(17)24-4)18(22)12-13-25-20(23)15-8-6-5-7-9-15/h5-11,14,18,22H,1-4H3