3-[4-(4-methoxyphenoxy)but-2-ynylsulfanyl]-5,5-dimethyl-cyclohex-2-en-1-one

Systemtic Name: 3-[4-(4-methoxyphenoxy)but-2-ynylsulfanyl]-5,5-dimethyl-cyclohex-2-en-1-one Openeye Name: 3-[4-(4-methoxyphenoxy)but-2-ynylsulfanyl]-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 3-[4-(4-methoxyphenoxy)but-2-ynylthio]-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 3-[4-(4-methoxyphenoxy)but-2-ynylsulfanyl]-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 3-[4-(4-methoxyphenoxy)but-2-ynylthio]-5,5-dimethyl-cyclohex-2-en-1-one Formula: C19H22O3S MolecularWeight: 330.44118

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)SCC#CCOC2=CC=C(C=C2)OC)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)SCC#CCOC2=CC=C(C=C2)OC)C

InChI

InChI=1S/C19H22O3S/c1-19(2)13-15(20)12-18(14-19)23-11-5-4-10-22-17-8-6-16(21-3)7-9-17/h6-9,12H,10-11,13-14H2,1-3H3