2-[4-methyl-1-(3-methylbutoxy)pentyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione

Systemtic Name: 2-[4-methyl-1-(3-methylbutoxy)pentyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione Openeye Name: 5,8-dihydroxy-2-(1-isopentyloxy-4-methyl-pentyl)naphthalene-1,4-dione CAS Name: 5,8-dihydroxy-2-[4-methyl-1-(3-methylbutoxy)pentyl]naphthalene-1,4-dione IUPAC Name: 5,8-dihydroxy-2-[4-methyl-1-(3-methylbutoxy)pentyl]naphthalene-1,4-dione Traditional Name: 5,8-dihydroxy-2-(1-isoamoxy-4-methyl-pentyl)-1,4-naphthoquinone Formula: C21H28O5 MolecularWeight: 360.44402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OCCC(C)C

Isomeric SMILES

CC(C)CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OCCC(C)C

InChI

InChI=1S/C21H28O5/c1-12(2)5-8-18(26-10-9-13(3)4)14-11-17(24)19-15(22)6-7-16(23)20(19)21(14)25/h6-7,11-13,18,22-23H,5,8-10H2,1-4H3