3-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-1-(4-phenylphenyl)propan-1-one

Systemtic Name: 3-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-1-(4-phenylphenyl)propan-1-one Openeye Name: 3-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-1-(4-phenylphenyl)propan-1-one CAS Name: 3-[(2,3,4,5,6-pentamethylphenyl)methylthio]-1-(4-phenylphenyl)-1-propanone IUPAC Name: 3-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-1-(4-phenylphenyl)propan-1-one Traditional Name: 3-[(2,3,4,5,6-pentamethylbenzyl)thio]-1-(4-phenylphenyl)propan-1-one Formula: C27H30OS MolecularWeight: 402.5915

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)CSCCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)CSCCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C)C

InChI

InChI=1S/C27H30OS/c1-18-19(2)21(4)26(22(5)20(18)3)17-29-16-15-27(28)25-13-11-24(12-14-25)23-9-7-6-8-10-23/h6-14H,15-17H2,1-5H3