4-[2-bromanyl-6-methoxy-3-[(E)-2-phenylsulfanylethenyl]phenoxy]-3-methyl-cyclohex-2-en-1-one

Systemtic Name: 4-[2-bromanyl-6-methoxy-3-[(E)-2-phenylsulfanylethenyl]phenoxy]-3-methyl-cyclohex-2-en-1-one Openeye Name: 4-[2-bromo-6-methoxy-3-[(E)-2-phenylsulfanylvinyl]phenoxy]-3-methyl-cyclohex-2-en-1-one CAS Name: 4-[2-bromo-6-methoxy-3-[(E)-2-(phenylthio)ethenyl]phenoxy]-3-methyl-1-cyclohex-2-enone IUPAC Name: 4-[2-bromo-6-methoxy-3-[(E)-2-phenylsulfanylethenyl]phenoxy]-3-methylcyclohex-2-en-1-one Traditional Name: 4-[2-bromo-6-methoxy-3-[(E)-2-(phenylthio)vinyl]phenoxy]-3-methyl-cyclohex-2-en-1-one Formula: C22H21BrO3S MolecularWeight: 445.36934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)CCC1OC2=C(C=CC(=C2Br)C=CSC3=CC=CC=C3)OC

Isomeric SMILES

CC1=CC(=O)CCC1OC2=C(C=CC(=C2Br)/C=C/SC3=CC=CC=C3)OC

InChI

InChI=1S/C22H21BrO3S/c1-15-14-17(24)9-11-19(15)26-22-20(25-2)10-8-16(21(22)23)12-13-27-18-6-4-3-5-7-18/h3-8,10,12-14,19H,9,11H2,1-2H3/b13-12+