4-(2-chloranyl-4-ethylsulfanyl-6-methoxy-phenyl)-4-(hydroxymethyl)cyclohexan-1-one

Systemtic Name: 4-(2-chloranyl-4-ethylsulfanyl-6-methoxy-phenyl)-4-(hydroxymethyl)cyclohexan-1-one Openeye Name: 4-(2-chloro-4-ethylsulfanyl-6-methoxy-phenyl)-4-(hydroxymethyl)cyclohexanone CAS Name: 4-[2-chloro-4-(ethylthio)-6-methoxyphenyl]-4-(hydroxymethyl)-1-cyclohexanone IUPAC Name: 4-(2-chloro-4-ethylsulfanyl-6-methoxyphenyl)-4-(hydroxymethyl)cyclohexan-1-one Traditional Name: 4-[2-chloro-4-(ethylthio)-6-methoxy-phenyl]-4-methylol-cyclohexanone Formula: C16H21ClO3S MolecularWeight: 328.85414

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=C(C(=C1)OC)C2(CCC(=O)CC2)CO)Cl

Isomeric SMILES

CCSC1=CC(=C(C(=C1)OC)C2(CCC(=O)CC2)CO)Cl

InChI

InChI=1S/C16H21ClO3S/c1-3-21-12-8-13(17)15(14(9-12)20-2)16(10-18)6-4-11(19)5-7-16/h8-9,18H,3-7,10H2,1-2H3