2,3-bis[2-(1-oxidanylcyclohexyl)ethynyl]naphthalene-1,4-dione

Systemtic Name: 2,3-bis[2-(1-oxidanylcyclohexyl)ethynyl]naphthalene-1,4-dione Openeye Name: 2,3-bis[2-(1-hydroxycyclohexyl)ethynyl]naphthalene-1,4-dione CAS Name: 2,3-bis[2-(1-hydroxycyclohexyl)ethynyl]naphthalene-1,4-dione IUPAC Name: 2,3-bis[2-(1-hydroxycyclohexyl)ethynyl]naphthalene-1,4-dione Traditional Name: 2,3-bis[2-(1-hydroxycyclohexyl)ethynyl]-1,4-naphthoquinone Formula: C26H26O4 MolecularWeight: 402.48224

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC2=C(C(=O)C3=CC=CC=C3C2=O)C#CC4(CCCCC4)O)O

Isomeric SMILES

C1CCC(CC1)(C#CC2=C(C(=O)C3=CC=CC=C3C2=O)C#CC4(CCCCC4)O)O

InChI

InChI=1S/C26H26O4/c27-23-19-9-3-4-10-20(19)24(28)22(12-18-26(30)15-7-2-8-16-26)21(23)11-17-25(29)13-5-1-6-14-25/h3-4,9-10,29-30H,1-2,5-8,13-16H2