2-[2,13-dimethyl-7-(5-methylhexyl)tetradecan-7-yl]oxycarbonylbenzoic acid

Systemtic Name: 2-[2,13-dimethyl-7-(5-methylhexyl)tetradecan-7-yl]oxycarbonylbenzoic acid Openeye Name: 2-[7-methyl-1,1-bis(5-methylhexyl)octoxy]carbonylbenzoic acid CAS Name: 2-[[2,13-dimethyl-7-(5-methylhexyl)tetradecan-7-yl]oxy-oxomethyl]benzoic acid IUPAC Name: 2-[2,13-dimethyl-7-(5-methylhexyl)tetradecan-7-yl]oxycarbonylbenzoic acid Traditional Name: 2-[7-methyl-1,1-bis(5-methylhexyl)octoxy]carbonylbenzoic acid Formula: C31H52O4 MolecularWeight: 488.74218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC(CCCCC(C)C)(CCCCC(C)C)OC(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CC(C)CCCCCC(CCCCC(C)C)(CCCCC(C)C)OC(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C31H52O4/c1-24(2)16-8-7-13-21-31(22-14-11-17-25(3)4,23-15-12-18-26(5)6)35-30(34)28-20-10-9-19-27(28)29(32)33/h9-10,19-20,24-26H,7-8,11-18,21-23H2,1-6H3,(H,32,33)