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

Systemtic Name: [3-(3,5-ditert-butyl-2-methoxy-phenyl)-3-oxidanyl-prop-1-ynyl] benzoate Openeye Name: [3-(3,5-ditert-butyl-2-methoxy-phenyl)-3-hydroxy-prop-1-ynyl] benzoate CAS Name: benzoic acid [3-(3,5-ditert-butyl-2-methoxyphenyl)-3-hydroxyprop-1-ynyl] ester IUPAC Name: [3-(3,5-ditert-butyl-2-methoxyphenyl)-3-hydroxyprop-1-ynyl] benzoate Traditional Name: benzoic acid [3-(3,5-ditert-butyl-2-methoxy-phenyl)-3-hydroxy-prop-1-ynyl] ester Formula: C25H30O4 MolecularWeight: 394.5033

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30O4/c1-24(2,3)18-15-19(22(28-7)20(16-18)25(4,5)6)21(26)13-14-29-23(27)17-11-9-8-10-12-17/h8-12,15-16,21,26H,1-7H3