2-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyl-octyl]naphthalene-1-carboxylic acid

Systemtic Name: 2-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyl-octyl]naphthalene-1-carboxylic acid Openeye Name: 2-[5,7,7-trimethyl-2-(1,3,3-trimethylbutyl)octyl]naphthalene-1-carboxylic acid CAS Name: 2-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctyl]-1-naphthalenecarboxylic acid IUPAC Name: 2-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctyl]naphthalene-1-carboxylic acid Traditional Name: 2-[5,7,7-trimethyl-2-(1,3,3-trimethylbutyl)octyl]-1-naphthoic acid Formula: C29H44O2 MolecularWeight: 424.65846

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(CC1=C(C2=CC=CC=C2C=C1)C(=O)O)C(C)CC(C)(C)C)CC(C)(C)C

Isomeric SMILES

CC(CCC(CC1=C(C2=CC=CC=C2C=C1)C(=O)O)C(C)CC(C)(C)C)CC(C)(C)C

InChI

InChI=1S/C29H44O2/c1-20(18-28(3,4)5)13-14-23(21(2)19-29(6,7)8)17-24-16-15-22-11-9-10-12-25(22)26(24)27(30)31/h9-12,15-16,20-21,23H,13-14,17-19H2,1-8H3,(H,30,31)