3-[5,6-bis(oxidanyl)-1-benzothiophen-2-yl]-2-methyl-2-(4-propan-2-ylphenyl)propanoic acid

Systemtic Name: 3-[5,6-bis(oxidanyl)-1-benzothiophen-2-yl]-2-methyl-2-(4-propan-2-ylphenyl)propanoic acid Openeye Name: 3-(5,6-dihydroxybenzothiophen-2-yl)-2-(4-isopropylphenyl)-2-methyl-propanoic acid CAS Name: 3-(5,6-dihydroxy-1-benzothiophen-2-yl)-2-methyl-2-(4-propan-2-ylphenyl)propanoic acid IUPAC Name: 3-(5,6-dihydroxy-1-benzothiophen-2-yl)-2-methyl-2-(4-propan-2-ylphenyl)propanoic acid Traditional Name: 3-(5,6-dihydroxybenzothiophen-2-yl)-2-methyl-2-p-cumenyl-propionic acid Formula: C21H22O4S MolecularWeight: 370.46198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C)(CC2=CC3=CC(=C(C=C3S2)O)O)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(C)(CC2=CC3=CC(=C(C=C3S2)O)O)C(=O)O

InChI

InChI=1S/C21H22O4S/c1-12(2)13-4-6-15(7-5-13)21(3,20(24)25)11-16-8-14-9-17(22)18(23)10-19(14)26-16/h4-10,12,22-23H,11H2,1-3H3,(H,24,25)