(E)-3-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-1-(4-methylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-1-(4-methylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-1-(4-methylsulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-(3-chloro-5-ethoxy-4-hydroxyphenyl)-1-(4-methylsulfonylphenyl)-2-propen-1-one IUPAC Name: (E)-3-(3-chloro-5-ethoxy-4-hydroxyphenyl)-1-(4-methylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-1-(4-mesylphenyl)prop-2-en-1-one Formula: C18H17ClO5S MolecularWeight: 380.84258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)C)Cl)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)C)Cl)O

InChI

InChI=1S/C18H17ClO5S/c1-3-24-17-11-12(10-15(19)18(17)21)4-9-16(20)13-5-7-14(8-6-13)25(2,22)23/h4-11,21H,3H2,1-2H3/b9-4+