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

Systemtic Name: 2-[2-(hydroxymethyl)-5-methyl-2-propan-2-yl-hexoxy]carbonylbenzoic acid Openeye Name: 2-[2-(hydroxymethyl)-2-isopropyl-5-methyl-hexoxy]carbonylbenzoic acid CAS Name: 2-[[2-(hydroxymethyl)-5-methyl-2-propan-2-ylhexoxy]-oxomethyl]benzoic acid IUPAC Name: 2-[2-(hydroxymethyl)-5-methyl-2-propan-2-ylhexoxy]carbonylbenzoic acid Traditional Name: 2-(2-isopropyl-5-methyl-2-methylol-hexoxy)carbonylbenzoic acid Formula: C19H28O5 MolecularWeight: 336.42262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CO)(COC(=O)C1=CC=CC=C1C(=O)O)C(C)C

Isomeric SMILES

CC(C)CCC(CO)(COC(=O)C1=CC=CC=C1C(=O)O)C(C)C

InChI

InChI=1S/C19H28O5/c1-13(2)9-10-19(11-20,14(3)4)12-24-18(23)16-8-6-5-7-15(16)17(21)22/h5-8,13-14,20H,9-12H2,1-4H3,(H,21,22)