5-chloranyl-2,3-bis(4-methylpentoxy)naphthalene-1,4-dione

Systemtic Name: 5-chloranyl-2,3-bis(4-methylpentoxy)naphthalene-1,4-dione Openeye Name: 5-chloro-2,3-diisohexyloxy-naphthalene-1,4-dione CAS Name: 5-chloro-2,3-bis(4-methylpentoxy)naphthalene-1,4-dione IUPAC Name: 5-chloro-2,3-bis(4-methylpentoxy)naphthalene-1,4-dione Traditional Name: 5-chloro-2,3-diisohexyloxy-1,4-naphthoquinone Formula: C22H29ClO4 MolecularWeight: 392.91626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC1=C(C(=O)C2=C(C1=O)C=CC=C2Cl)OCCCC(C)C

Isomeric SMILES

CC(C)CCCOC1=C(C(=O)C2=C(C1=O)C=CC=C2Cl)OCCCC(C)C

InChI

InChI=1S/C22H29ClO4/c1-14(2)8-6-12-26-21-19(24)16-10-5-11-17(23)18(16)20(25)22(21)27-13-7-9-15(3)4/h5,10-11,14-15H,6-9,12-13H2,1-4H3