2-[2-[2-(hydroxymethyl)-5-methyl-2-propan-2-yl-hexoxy]carbonylphenyl]benzoic acid

Systemtic Name: 2-[2-[2-(hydroxymethyl)-5-methyl-2-propan-2-yl-hexoxy]carbonylphenyl]benzoic acid Openeye Name: 2-[2-[2-(hydroxymethyl)-2-isopropyl-5-methyl-hexoxy]carbonylphenyl]benzoic acid CAS Name: 2-[2-[[2-(hydroxymethyl)-5-methyl-2-propan-2-ylhexoxy]-oxomethyl]phenyl]benzoic acid IUPAC Name: 2-[2-[2-(hydroxymethyl)-5-methyl-2-propan-2-ylhexoxy]carbonylphenyl]benzoic acid Traditional Name: 2-[2-(2-isopropyl-5-methyl-2-methylol-hexoxy)carbonylphenyl]benzoic acid Formula: C25H32O5 MolecularWeight: 412.51858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CO)(COC(=O)C1=CC=CC=C1C2=CC=CC=C2C(=O)O)C(C)C

Isomeric SMILES

CC(C)CCC(CO)(COC(=O)C1=CC=CC=C1C2=CC=CC=C2C(=O)O)C(C)C

InChI

InChI=1S/C25H32O5/c1-17(2)13-14-25(15-26,18(3)4)16-30-24(29)22-12-8-6-10-20(22)19-9-5-7-11-21(19)23(27)28/h5-12,17-18,26H,13-16H2,1-4H3,(H,27,28)