3-[3,3-bis(chloranyl)prop-2-enyl]-4-oxidanyl-naphthalene-1,2-dione; sodium

Systemtic Name: 3-[3,3-bis(chloranyl)prop-2-enyl]-4-oxidanyl-naphthalene-1,2-dione; sodium Openeye Name: 3-(3,3-dichloroallyl)-4-hydroxy-naphthalene-1,2-dione; sodium CAS Name: 3-(3,3-dichloroprop-2-enyl)-4-hydroxynaphthalene-1,2-dione; sodium IUPAC Name: 3-(3,3-dichloroprop-2-enyl)-4-hydroxynaphthalene-1,2-dione; sodium Traditional Name: 3-(3,3-dichloroallyl)-4-hydroxy-1,2-naphthoquinone; sodium Formula: C13H8Cl2NaO3 MolecularWeight: 306.09659

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C(=O)C2=O)CC=C(Cl)Cl)O.[Na]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C(=O)C2=O)CC=C(Cl)Cl)O.[Na]

InChI

InChI=1S/C13H8Cl2O3.Na/c14-10(15)6-5-9-11(16)7-3-1-2-4-8(7)12(17)13(9)18;/h1-4,6,16H,5H2;