4,4-dimethyl-2-(6-oxidanylidene-2-phenyl-3H-pyran-2-yl)-2-(2-propan-2-ylphenyl)sulfanyl-pentanoic acid

Systemtic Name: 4,4-dimethyl-2-(6-oxidanylidene-2-phenyl-3H-pyran-2-yl)-2-(2-propan-2-ylphenyl)sulfanyl-pentanoic acid Openeye Name: 2-(2-isopropylphenyl)sulfanyl-4,4-dimethyl-2-(6-oxo-2-phenyl-3H-pyran-2-yl)pentanoic acid CAS Name: 4,4-dimethyl-2-(6-oxo-2-phenyl-3H-pyran-2-yl)-2-[(2-propan-2-ylphenyl)thio]pentanoic acid IUPAC Name: 4,4-dimethyl-2-(6-oxo-2-phenyl-3H-pyran-2-yl)-2-(2-propan-2-ylphenyl)sulfanylpentanoic acid Traditional Name: 2-(6-keto-2-phenyl-3H-pyran-2-yl)-4,4-dimethyl-2-(o-cumenylthio)valeric acid Formula: C27H32O4S MolecularWeight: 452.60558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC(CC(C)(C)C)(C(=O)O)C2(CC=CC(=O)O2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=CC=C1SC(CC(C)(C)C)(C(=O)O)C2(CC=CC(=O)O2)C3=CC=CC=C3

InChI

InChI=1S/C27H32O4S/c1-19(2)21-14-9-10-15-22(21)32-27(24(29)30,18-25(3,4)5)26(17-11-16-23(28)31-26)20-12-7-6-8-13-20/h6-16,19H,17-18H2,1-5H3,(H,29,30)