2,3,5-trimethyl-6-(12-oxidanyldodeca-5,10-diynyl)cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2,3,5-trimethyl-6-(12-oxidanyldodeca-5,10-diynyl)cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-(12-hydroxydodeca-5,10-diynyl)-3,5,6-trimethyl-1,4-benzoquinone CAS Name: 2-(12-hydroxydodeca-5,10-diynyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-(12-hydroxydodeca-5,10-diynyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2-(12-hydroxydodeca-5,10-diynyl)-3,5,6-trimethyl-p-benzoquinone Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)C)CCCCC#CCCCC#CCO)C

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)C)CCCCC#CCCCC#CCO)C

InChI

InChI=1S/C21H26O3/c1-16-17(2)21(24)19(18(3)20(16)23)14-12-10-8-6-4-5-7-9-11-13-15-22/h22H,5,7-10,12,14-15H2,1-3H3