2-chloranyl-7-hexanoyl-6,8-bis(oxidanyl)naphthalene-1,4-dione

Systemtic Name: 2-chloranyl-7-hexanoyl-6,8-bis(oxidanyl)naphthalene-1,4-dione Openeye Name: 2-chloro-7-hexanoyl-6,8-dihydroxy-naphthalene-1,4-dione CAS Name: 2-chloro-6,8-dihydroxy-7-(1-oxohexyl)naphthalene-1,4-dione IUPAC Name: 2-chloro-7-hexanoyl-6,8-dihydroxynaphthalene-1,4-dione Traditional Name: 7-caproyl-2-chloro-6,8-dihydroxy-1,4-naphthoquinone Formula: C16H15ClO5 MolecularWeight: 322.7403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=C(C=C2C(=O)C=C(C(=O)C2=C1O)Cl)O

Isomeric SMILES

CCCCCC(=O)C1=C(C=C2C(=O)C=C(C(=O)C2=C1O)Cl)O

InChI

InChI=1S/C16H15ClO5/c1-2-3-4-5-10(18)14-12(20)6-8-11(19)7-9(17)15(21)13(8)16(14)22/h6-7,20,22H,2-5H2,1H3