5,8-bis(oxidanyl)naphthalene-1,4-dione; 6-chloranyl-3-methyl-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 5,8-bis(oxidanyl)naphthalene-1,4-dione; 6-chloranyl-3-methyl-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 6-chloro-4-hydroxy-3-methyl-naphthalene-1,2-dione; 5,8-dihydroxynaphthalene-1,4-dione CAS Name: 6-chloro-4-hydroxy-3-methylnaphthalene-1,2-dione; 5,8-dihydroxynaphthalene-1,4-dione IUPAC Name: 6-chloro-4-hydroxy-3-methylnaphthalene-1,2-dione; 5,8-dihydroxynaphthalene-1,4-dione Traditional Name: 6-chloro-4-hydroxy-3-methyl-1,2-naphthoquinone; 5,8-dihydroxy-1,4-naphthoquinone Formula: C21H13ClO7 MolecularWeight: 412.77672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=CC(=C2)Cl)C(=O)C1=O)O.C1=CC(=C2C(=O)C=CC(=O)C2=C1O)O

Isomeric SMILES

CC1=C(C2=C(C=CC(=C2)Cl)C(=O)C1=O)O.C1=CC(=C2C(=O)C=CC(=O)C2=C1O)O

InChI

InChI=1S/C11H7ClO3.C10H6O4/c1-5-9(13)8-4-6(12)2-3-7(8)11(15)10(5)14;11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h2-4,13H,1H3;1-4,11-12H