2-bromanyl-3-heptyl-5-oxidanyl-naphthalene-1,4-dione

Systemtic Name: 2-bromanyl-3-heptyl-5-oxidanyl-naphthalene-1,4-dione Openeye Name: 2-bromo-3-heptyl-5-hydroxy-naphthalene-1,4-dione CAS Name: 2-bromo-3-heptyl-5-hydroxynaphthalene-1,4-dione IUPAC Name: 2-bromo-3-heptyl-5-hydroxynaphthalene-1,4-dione Traditional Name: 2-bromo-3-heptyl-5-hydroxy-1,4-naphthoquinone Formula: C17H19BrO3 MolecularWeight: 351.23496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C(=O)C2=C(C1=O)C(=CC=C2)O)Br

Isomeric SMILES

CCCCCCCC1=C(C(=O)C2=C(C1=O)C(=CC=C2)O)Br

InChI

InChI=1S/C17H19BrO3/c1-2-3-4-5-6-8-12-15(18)17(21)11-9-7-10-13(19)14(11)16(12)20/h7,9-10,19H,2-6,8H2,1H3