2-(1-dodecoxy-4-methyl-pentyl)-5,8-bis(oxidanyl)naphthalene-1,4-dione

Systemtic Name: 2-(1-dodecoxy-4-methyl-pentyl)-5,8-bis(oxidanyl)naphthalene-1,4-dione Openeye Name: 2-(1-dodecoxy-4-methyl-pentyl)-5,8-dihydroxy-naphthalene-1,4-dione CAS Name: 2-(1-dodecoxy-4-methylpentyl)-5,8-dihydroxynaphthalene-1,4-dione IUPAC Name: 2-(1-dodecoxy-4-methylpentyl)-5,8-dihydroxynaphthalene-1,4-dione Traditional Name: 5,8-dihydroxy-2-(1-lauryloxy-4-methyl-pentyl)-1,4-naphthoquinone Formula: C28H42O5 MolecularWeight: 458.63008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42O5/c1-4-5-6-7-8-9-10-11-12-13-18-33-25(17-14-20(2)3)21-19-24(31)26-22(29)15-16-23(30)27(26)28(21)32/h15-16,19-20,25,29-30H,4-14,17-18H2,1-3H3