3-[2-tert-butyl-4-(2-oxidanylidenepropoxy)phenyl]sulfanyl-4-methyl-6-phenyl-pyran-2-one

Systemtic Name: 3-[2-tert-butyl-4-(2-oxidanylidenepropoxy)phenyl]sulfanyl-4-methyl-6-phenyl-pyran-2-one Openeye Name: 3-(4-acetonyloxy-2-tert-butyl-phenyl)sulfanyl-4-methyl-6-phenyl-pyran-2-one CAS Name: 3-[[2-tert-butyl-4-(2-oxopropoxy)phenyl]thio]-4-methyl-6-phenyl-2-pyranone IUPAC Name: 3-[2-tert-butyl-4-(2-oxopropoxy)phenyl]sulfanyl-4-methyl-6-phenylpyran-2-one Traditional Name: 3-[(4-acetonyloxy-2-tert-butyl-phenyl)thio]-4-methyl-6-phenyl-pyran-2-one Formula: C25H26O4S MolecularWeight: 422.53654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC(=C1)C2=CC=CC=C2)SC3=C(C=C(C=C3)OCC(=O)C)C(C)(C)C

Isomeric SMILES

CC1=C(C(=O)OC(=C1)C2=CC=CC=C2)SC3=C(C=C(C=C3)OCC(=O)C)C(C)(C)C

InChI

InChI=1S/C25H26O4S/c1-16-13-21(18-9-7-6-8-10-18)29-24(27)23(16)30-22-12-11-19(28-15-17(2)26)14-20(22)25(3,4)5/h6-14H,15H2,1-5H3