2-tert-butyl-2-(4-methylphenyl)-3,1-benzoxathiin-4-one

Systemtic Name: 2-tert-butyl-2-(4-methylphenyl)-3,1-benzoxathiin-4-one Openeye Name: 2-tert-butyl-2-(p-tolyl)-3,1-benzoxathiin-4-one CAS Name: 2-tert-butyl-2-(4-methylphenyl)-3,1-benzoxathiin-4-one IUPAC Name: 2-tert-butyl-2-(4-methylphenyl)-3,1-benzoxathiin-4-one Traditional Name: 2-tert-butyl-2-(p-tolyl)-3,1-benzoxathiin-4-one Formula: C19H20O2S MolecularWeight: 312.4259

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(OC(=O)C3=CC=CC=C3S2)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2(OC(=O)C3=CC=CC=C3S2)C(C)(C)C

InChI

InChI=1S/C19H20O2S/c1-13-9-11-14(12-10-13)19(18(2,3)4)21-17(20)15-7-5-6-8-16(15)22-19/h5-12H,1-4H3