4-(5-ethyl-13-methyl-tetradecan-7-yl)oxycarbonylbenzoic acid

Systemtic Name: 4-(5-ethyl-13-methyl-tetradecan-7-yl)oxycarbonylbenzoic acid Openeye Name: 4-[1-(2-ethylhexyl)-7-methyl-octoxy]carbonylbenzoic acid CAS Name: 4-[(5-ethyl-13-methyltetradecan-7-yl)oxy-oxomethyl]benzoic acid IUPAC Name: 4-(5-ethyl-13-methyltetradecan-7-yl)oxycarbonylbenzoic acid Traditional Name: 4-[1-(2-ethylhexyl)-7-methyl-octoxy]carbonylbenzoic acid Formula: C25H40O4 MolecularWeight: 404.5827

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40O4/c1-5-7-12-20(6-2)18-23(13-10-8-9-11-19(3)4)29-25(28)22-16-14-21(15-17-22)24(26)27/h14-17,19-20,23H,5-13,18H2,1-4H3,(H,26,27)