4-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanylmethyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[(4-tert-butyl-2,6-dimethylphenyl)methylthio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[(4-tert-butyl-2,6-dimethyl-benzyl)thio]methyl]-7,8-dimethyl-coumarin Formula: C25H30O2S MolecularWeight: 394.5695

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSCC3=C(C=C(C=C3C)C(C)(C)C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSCC3=C(C=C(C=C3C)C(C)(C)C)C)C

InChI

InChI=1S/C25H30O2S/c1-15-8-9-21-19(12-23(26)27-24(21)18(15)4)13-28-14-22-16(2)10-20(11-17(22)3)25(5,6)7/h8-12H,13-14H2,1-7H3