2-chloranyl-6-methylsulfanyl-3-propyl-naphthalene-1,4-dione

Systemtic Name: 2-chloranyl-6-methylsulfanyl-3-propyl-naphthalene-1,4-dione Openeye Name: 2-chloro-6-methylsulfanyl-3-propyl-naphthalene-1,4-dione CAS Name: 2-chloro-6-(methylthio)-3-propylnaphthalene-1,4-dione IUPAC Name: 2-chloro-6-methylsulfanyl-3-propylnaphthalene-1,4-dione Traditional Name: 2-chloro-6-(methylthio)-3-propyl-1,4-naphthoquinone Formula: C14H13ClO2S MolecularWeight: 280.76982

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)C2=C(C1=O)C=C(C=C2)SC)Cl

Isomeric SMILES

CCCC1=C(C(=O)C2=C(C1=O)C=C(C=C2)SC)Cl

InChI

InChI=1S/C14H13ClO2S/c1-3-4-10-12(15)14(17)9-6-5-8(18-2)7-11(9)13(10)16/h5-7H,3-4H2,1-2H3