2-methyl-3-[(Z)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione

Systemtic Name: 2-methyl-3-[(Z)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione Openeye Name: 2-methyl-3-[(Z)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione CAS Name: 2-methyl-3-[(Z)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione IUPAC Name: 2-methyl-3-[(Z)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione Traditional Name: 2-methyl-3-[(Z)-3,7,11,15-tetramethylhexadec-2-enyl]-1,4-naphthoquinone Formula: C31H46O2 MolecularWeight: 450.69574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C

Isomeric SMILES

CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(/C)\CCCC(C)CCCC(C)CCCC(C)C

InChI

InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20-