(2-propan-2-ylphenyl)sulfanyl 5-(3-tert-butyl-6-oxidanylidene-2-phenyl-3H-pyran-2-yl)pentanoate

Systemtic Name: (2-propan-2-ylphenyl)sulfanyl 5-(3-tert-butyl-6-oxidanylidene-2-phenyl-3H-pyran-2-yl)pentanoate Openeye Name: (2-isopropylphenyl)sulfanyl 5-(3-tert-butyl-6-oxo-2-phenyl-3H-pyran-2-yl)pentanoate CAS Name: 5-(3-tert-butyl-6-oxo-2-phenyl-3H-pyran-2-yl)pentanoic acid [(2-propan-2-ylphenyl)thio] ester IUPAC Name: (2-propan-2-ylphenyl)sulfanyl 5-(3-tert-butyl-6-oxo-2-phenyl-3H-pyran-2-yl)pentanoate Traditional Name: 5-(3-tert-butyl-6-keto-2-phenyl-3H-pyran-2-yl)valeric acid (o-cumenylthio) ester Formula: C29H36O4S MolecularWeight: 480.65874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SOC(=O)CCCCC2(C(C=CC(=O)O2)C(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=CC=C1SOC(=O)CCCCC2(C(C=CC(=O)O2)C(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C29H36O4S/c1-21(2)23-15-9-10-16-24(23)34-33-27(31)17-11-12-20-29(22-13-7-6-8-14-22)25(28(3,4)5)18-19-26(30)32-29/h6-10,13-16,18-19,21,25H,11-12,17,20H2,1-5H3