2-methyl-3-(3,7,11,15-tetramethyl-3-oxidanyl-hexadecyl)naphthalene-1,4-dione

Systemtic Name: 2-methyl-3-(3,7,11,15-tetramethyl-3-oxidanyl-hexadecyl)naphthalene-1,4-dione Openeye Name: 2-(3-hydroxy-3,7,11,15-tetramethyl-hexadecyl)-3-methyl-naphthalene-1,4-dione CAS Name: 2-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-3-methylnaphthalene-1,4-dione IUPAC Name: 2-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-3-methylnaphthalene-1,4-dione Traditional Name: 2-(3-hydroxy-3,7,11,15-tetramethyl-hexadecyl)-3-methyl-1,4-naphthoquinone Formula: C31H48O3 MolecularWeight: 468.71102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H48O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-31(6,34)21-19-26-25(5)29(32)27-17-7-8-18-28(27)30(26)33/h7-8,17-18,22-24,34H,9-16,19-21H2,1-6H3