2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]pyridin-3-yl]cyclohexane-1,3-dione

Systemtic Name: 2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]pyridin-3-yl]cyclohexane-1,3-dione Openeye Name: 2-[6-[2-(3,5,5,8,8-pentamethyl-2-naphthyl)oxiran-2-yl]-3-pyridyl]cyclohexane-1,3-dione CAS Name: 2-[6-[2-(3,5,5,8,8-pentamethyl-2-naphthalenyl)-2-oxiranyl]-3-pyridinyl]cyclohexane-1,3-dione IUPAC Name: 2-[6-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]pyridin-3-yl]cyclohexane-1,3-dione Traditional Name: 2-[6-[2-(3,5,5,8,8-pentamethyl-2-naphthyl)oxiran-2-yl]-3-pyridyl]cyclohexane-1,3-quinone Formula: C28H31NO3 MolecularWeight: 429.55064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(C=CC2(C)C)(C)C)C3(CO3)C4=NC=C(C=C4)C5C(=O)CCCC5=O

Isomeric SMILES

CC1=C(C=C2C(=C1)C(C=CC2(C)C)(C)C)C3(CO3)C4=NC=C(C=C4)C5C(=O)CCCC5=O

InChI

InChI=1S/C28H31NO3/c1-17-13-20-21(27(4,5)12-11-26(20,2)3)14-19(17)28(16-32-28)24-10-9-18(15-29-24)25-22(30)7-6-8-23(25)31/h9-15,25H,6-8,16H2,1-5H3