(E)-3-(1,3-benzodioxol-5-yl)-1-(5-chloranyl-4-methyl-2-oxidanyl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(5-chloranyl-4-methyl-2-oxidanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(5-chloro-2-hydroxy-4-methyl-phenyl)prop-2-en-1-one CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(5-chloro-2-hydroxy-4-methylphenyl)-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(5-chloro-2-hydroxy-4-methylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(5-chloro-2-hydroxy-4-methyl-phenyl)prop-2-en-1-one Formula: C17H13ClO4 MolecularWeight: 316.73572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)O)C(=O)C=CC2=CC3=C(C=C2)OCO3)Cl

Isomeric SMILES

CC1=C(C=C(C(=C1)O)C(=O)/C=C/C2=CC3=C(C=C2)OCO3)Cl

InChI

InChI=1S/C17H13ClO4/c1-10-6-15(20)12(8-13(10)18)14(19)4-2-11-3-5-16-17(7-11)22-9-21-16/h2-8,20H,9H2,1H3/b4-2+