2-[3-(4-tert-butylphenyl)-3-oxidanyl-prop-2-enoyl]-4-methyl-phenolate

Systemtic Name: 2-[3-(4-tert-butylphenyl)-3-oxidanyl-prop-2-enoyl]-4-methyl-phenolate Openeye Name: 2-[3-(4-tert-butylphenyl)-3-hydroxy-prop-2-enoyl]-4-methyl-phenolate CAS Name: 2-[3-(4-tert-butylphenyl)-3-hydroxy-1-oxoprop-2-enyl]-4-methylphenolate IUPAC Name: 2-[3-(4-tert-butylphenyl)-3-hydroxyprop-2-enoyl]-4-methylphenolate Traditional Name: 2-[3-(4-tert-butylphenyl)-3-hydroxy-acryloyl]-4-methyl-phenolate Formula: C20H21O3- MolecularWeight: 309.37894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[O-])C(=O)C=C(C2=CC=C(C=C2)C(C)(C)C)O

Isomeric SMILES

CC1=CC(=C(C=C1)[O-])C(=O)C=C(C2=CC=C(C=C2)C(C)(C)C)O

InChI

InChI=1S/C20H22O3/c1-13-5-10-17(21)16(11-13)19(23)12-18(22)14-6-8-15(9-7-14)20(2,3)4/h5-12,21-22H,1-4H3/p-1