5,5-dimethyl-3-phenoxathiin-4-yl-cyclohex-2-en-1-one

Systemtic Name: 5,5-dimethyl-3-phenoxathiin-4-yl-cyclohex-2-en-1-one Openeye Name: 5,5-dimethyl-3-phenoxathiin-4-yl-cyclohex-2-en-1-one CAS Name: 5,5-dimethyl-3-(4-phenoxathiinyl)-1-cyclohex-2-enone IUPAC Name: 5,5-dimethyl-3-phenoxathiin-4-ylcyclohex-2-en-1-one Traditional Name: 5,5-dimethyl-3-phenoxathiin-4-yl-cyclohex-2-en-1-one Formula: C20H18O2S MolecularWeight: 322.42072

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)C2=C3C(=CC=C2)SC4=CC=CC=C4O3)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)C2=C3C(=CC=C2)SC4=CC=CC=C4O3)C

InChI

InChI=1S/C20H18O2S/c1-20(2)11-13(10-14(21)12-20)15-6-5-9-18-19(15)22-16-7-3-4-8-17(16)23-18/h3-10H,11-12H2,1-2H3