Molecule ID: 93315

IUPAC Name: (3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate

Description: The molecule is an acetate ester consisting of 1,4-naphthoquinone bearing acetoxy and dodecyl substituents at positions 2 and 3 respectively. It has a role as a mitochondrial cytochrome-bc1 complex inhibitor and an acaricide. It is an acetate ester and a member of 1,4-naphthoquinones.

SMILES: CCCCCCCCCCCCC1=C(OC(C)=O)C(=O)c2ccccc2C1=O

SELFIES: [C][C][C][C][C][C][C][C][C][C][C][C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=O]

InChI: InChI=1S/C24H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-21-22(26)19-15-13-14-16-20(19)23(27)24(21)28-18(2)25/h13-16H,3-12,17H2,1-2H3

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 7.6