2-methyl-5,8-bis(oxidanyl)-6-[(2-phenethylcyclohexyl)methyl]naphthalene-1,4-dione

Systemtic Name: 2-methyl-5,8-bis(oxidanyl)-6-[(2-phenethylcyclohexyl)methyl]naphthalene-1,4-dione Openeye Name: 5,8-dihydroxy-2-methyl-6-[(2-phenethylcyclohexyl)methyl]naphthalene-1,4-dione CAS Name: 5,8-dihydroxy-2-methyl-6-[(2-phenethylcyclohexyl)methyl]naphthalene-1,4-dione IUPAC Name: 5,8-dihydroxy-2-methyl-6-[(2-phenethylcyclohexyl)methyl]naphthalene-1,4-dione Traditional Name: 5,8-dihydroxy-2-methyl-6-[(2-phenethylcyclohexyl)methyl]-1,4-naphthoquinone Formula: C26H28O4 MolecularWeight: 404.49812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C2=C(C(=CC(=C2C1=O)O)CC3CCCCC3CCC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC(=O)C2=C(C(=CC(=C2C1=O)O)CC3CCCCC3CCC4=CC=CC=C4)O

InChI

InChI=1S/C26H28O4/c1-16-13-21(27)24-23(25(16)29)22(28)15-20(26(24)30)14-19-10-6-5-9-18(19)12-11-17-7-3-2-4-8-17/h2-4,7-8,13,15,18-19,28,30H,5-6,9-12,14H2,1H3