5-methyl-5-[7-(2-methyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl)anthracen-2-yl]hexanoic acid

Systemtic Name: 5-methyl-5-[7-(2-methyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl)anthracen-2-yl]hexanoic acid Openeye Name: 5-[7-(5-hydroxy-1,1-dimethyl-5-oxo-pentyl)-2-anthryl]-5-methyl-hexanoic acid CAS Name: 5-[7-(6-hydroxy-2-methyl-6-oxohexan-2-yl)-2-anthracenyl]-5-methylhexanoic acid IUPAC Name: 5-[7-(6-hydroxy-2-methyl-6-oxohexan-2-yl)anthracen-2-yl]-5-methylhexanoic acid Traditional Name: 5-[7-(5-hydroxy-5-keto-1,1-dimethyl-pentyl)-2-anthryl]-5-methyl-hexanoic acid Formula: C28H34O4 MolecularWeight: 434.56716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC(=O)O)C1=CC2=CC3=C(C=CC(=C3)C(C)(C)CCCC(=O)O)C=C2C=C1

Isomeric SMILES

CC(C)(CCCC(=O)O)C1=CC2=CC3=C(C=CC(=C3)C(C)(C)CCCC(=O)O)C=C2C=C1

InChI

InChI=1S/C28H34O4/c1-27(2,13-5-7-25(29)30)23-11-9-19-15-20-10-12-24(18-22(20)16-21(19)17-23)28(3,4)14-6-8-26(31)32/h9-12,15-18H,5-8,13-14H2,1-4H3,(H,29,30)(H,31,32)