6-[4-(3-phenylpropoxy)phenyl]-3-(2-propan-2-ylphenyl)sulfanyl-pyran-2-one

Systemtic Name: 6-[4-(3-phenylpropoxy)phenyl]-3-(2-propan-2-ylphenyl)sulfanyl-pyran-2-one Openeye Name: 3-(2-isopropylphenyl)sulfanyl-6-[4-(3-phenylpropoxy)phenyl]pyran-2-one CAS Name: 6-[4-(3-phenylpropoxy)phenyl]-3-[(2-propan-2-ylphenyl)thio]-2-pyranone IUPAC Name: 6-[4-(3-phenylpropoxy)phenyl]-3-(2-propan-2-ylphenyl)sulfanylpyran-2-one Traditional Name: 3-(o-cumenylthio)-6-[4-(3-phenylpropoxy)phenyl]pyran-2-one Formula: C29H28O3S MolecularWeight: 456.59582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=CC=C(OC2=O)C3=CC=C(C=C3)OCCCC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=CC=C(OC2=O)C3=CC=C(C=C3)OCCCC4=CC=CC=C4

InChI

InChI=1S/C29H28O3S/c1-21(2)25-12-6-7-13-27(25)33-28-19-18-26(32-29(28)30)23-14-16-24(17-15-23)31-20-8-11-22-9-4-3-5-10-22/h3-7,9-10,12-19,21H,8,11,20H2,1-2H3