3-(5-methylhexyl)-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-(5-methylhexyl)-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 4-hydroxy-3-(5-methylhexyl)naphthalene-1,2-dione CAS Name: 4-hydroxy-3-(5-methylhexyl)naphthalene-1,2-dione IUPAC Name: 4-hydroxy-3-(5-methylhexyl)naphthalene-1,2-dione Traditional Name: 4-hydroxy-3-(5-methylhexyl)-1,2-naphthoquinone Formula: C17H20O3 MolecularWeight: 272.3389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCC1=C(C2=CC=CC=C2C(=O)C1=O)O

Isomeric SMILES

CC(C)CCCCC1=C(C2=CC=CC=C2C(=O)C1=O)O

InChI

InChI=1S/C17H20O3/c1-11(2)7-3-4-10-14-15(18)12-8-5-6-9-13(12)16(19)17(14)20/h5-6,8-9,11,18H,3-4,7,10H2,1-2H3