2-[6-[6-[2,3-bis(oxidanyl)-4-propan-2-yl-phenyl]hexoxy]naphthalen-2-yl]ethanoic acid; methane

Systemtic Name: 2-[6-[6-[2,3-bis(oxidanyl)-4-propan-2-yl-phenyl]hexoxy]naphthalen-2-yl]ethanoic acid; methane Openeye Name: 2-[6-[6-(2,3-dihydroxy-4-isopropyl-phenyl)hexoxy]-2-naphthyl]acetic acid; methane CAS Name: 2-[6-[6-(2,3-dihydroxy-4-propan-2-ylphenyl)hexoxy]-2-naphthalenyl]acetic acid; methane IUPAC Name: 2-[6-[6-(2,3-dihydroxy-4-propan-2-ylphenyl)hexoxy]naphthalen-2-yl]acetic acid; methane Traditional Name: 2-[6-[6-(2,3-dihydroxy-4-isopropyl-phenyl)hexoxy]-2-naphthyl]acetic acid; methane Formula: C28H36O5 MolecularWeight: 452.58244

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Descriptors Computed from Structure

Canonical SMILES:

C.CC(C)C1=C(C(=C(C=C1)CCCCCCOC2=CC3=C(C=C2)C=C(C=C3)CC(=O)O)O)O

Isomeric SMILES

C.CC(C)C1=C(C(=C(C=C1)CCCCCCOC2=CC3=C(C=C2)C=C(C=C3)CC(=O)O)O)O

InChI

InChI=1S/C27H32O5.CH4/c1-18(2)24-13-11-20(26(30)27(24)31)7-5-3-4-6-14-32-23-12-10-21-15-19(16-25(28)29)8-9-22(21)17-23;/h8-13,15,17-18,30-31H,3-7,14,16H2,1-2H3,(H,28,29);1H4